2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
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![2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/ddaec9e89fa442c2baa590ce970118c4.png "2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone")
2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
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CAS No:
790231-40-2
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Formula:
C17H17N5OS2
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Chemical Name:
2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
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Synonyms:
MLS000567124;SMR000153845;CHEMBL1503241;BDBM56427;cid_2496965;HMS2185E12;ZINC3378848;AKOS016993083;MCULE-2671134437;2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone;SR-01000058425;SR-01000058425-1;Z16342048;2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone;2-[(4-azanyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone;2-[[4-amino-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone;2-{[4-amino-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-one;790231-40-2
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CAS No:
2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Basic Attributes
371.5 g/mol
371.08745253 g/mol
Computed Properties
Molecular Weight:371.5
XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:371.08745253
Monoisotopic Mass:371.08745253
Topological Polar Surface Area:131
Heavy Atom Count:25
Complexity:482
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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