 Home > Encyclopedia > 3-[4-[[3-(3-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]-N-methylanilino]propanenitrile

3-[4-[[3-(3-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]-N-methylanilino]propanenitrile

3-[4-[[3-(3-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]-N-methylanilino]propanenitrile structure

CAS No:
733031-46-4
Formula:
C21H22N6OS
Chemical Name:
3-[4-[[3-(3-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]-N-methylanilino]propanenitrile
Synonyms:
AKOS034468314;MCULE-5200382100;Z56960369;3-{[4-({[3-(3-ethoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)phenyl](methyl)amino}propanenitrile;733031-46-4

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3-[4-[[3-(3-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]-N-methylanilino]propanenitrile Basic Attributes

Molecular Weight：

406.5 g/mol

Exact Mass：

406.15758052 g/mol

Characteristics

PSA：

108 Å²

Computed Properties

Molecular Weight:406.5
XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:8
Exact Mass:406.15758052
Monoisotopic Mass:406.15758052
Topological Polar Surface Area:108
Heavy Atom Count:29
Complexity:663
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-[4-[[3-(3-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]-N-methylanilino]propanenitrile

Basic Attributes
Characteristics
Computed Properties

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