3-[[4-(2-phenylethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one
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![3-[[4-(2-phenylethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/6ee4a5a3606e42eba11d5d943c39d876.png "3-[[4-(2-phenylethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one")
3-[[4-(2-phenylethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one
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CAS No:
390748-36-4
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Formula:
C18H16N4OS2
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Chemical Name:
3-[[4-(2-phenylethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one
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Synonyms:
390748-36-4;3-[(5-Thioxo-4-phenethyl-1H-1,2,4-triazole-3-yl)methyl]benzothiazole-2(3H)-one;3-{[4-(2-phenylethyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]methyl}-2,3-dihydro-1,3-benzothiazol-2-one;CHEMBL4520998;ZINC6104367;AKOS024618820;MCULE-3532218497;F1923-0038;3-((5-mercapto-4-phenethyl-4H-1,2,4-triazol-3-yl)methyl)benzo[d]thiazol-2(3H)-one;3-[[4-(2-phenylethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one
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CAS No:
3-[[4-(2-phenylethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one Basic Attributes
368.5 g/mol
368.07655349 g/mol
Computed Properties
Molecular Weight:368.5
XLogP3:3.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:368.07655349
Monoisotopic Mass:368.07655349
Topological Polar Surface Area:105
Heavy Atom Count:25
Complexity:561
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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