5-azanyl-1-[(4-ethoxyphenyl)methyl]-N-(3-methylsulfanylphenyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: 5-azanyl-1-[(4-ethoxyphenyl)methyl]-N-(3-methylsulfanylphenyl)-1,2,3-triazole-4-carboxamide Openeye Name: 5-amino-1-[(4-ethoxyphenyl)methyl]-N-(3-methylsulfanylphenyl)triazole-4-carboxamide CAS Name: 5-amino-1-[(4-ethoxyphenyl)methyl]-N-[3-(methylthio)phenyl]-4-triazolecarboxamide IUPAC Name: 5-amino-1-[(4-ethoxyphenyl)methyl]-N-(3-methylsulfanylphenyl)triazole-4-carboxamide Traditional Name: 5-amino-1-(4-ethoxybenzyl)-N-[3-(methylthio)phenyl]triazole-4-carboxamide Formula: C19H21N5O2S MolecularWeight: 383.46734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN2C(=C(N=N2)C(=O)NC3=CC(=CC=C3)SC)N

Isomeric SMILES

CCOC1=CC=C(C=C1)CN2C(=C(N=N2)C(=O)NC3=CC(=CC=C3)SC)N

InChI

InChI=1S/C19H21N5O2S/c1-3-26-15-9-7-13(8-10-15)12-24-18(20)17(22-23-24)19(25)21-14-5-4-6-16(11-14)27-2/h4-11H,3,12,20H2,1-2H3,(H,21,25)