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

Systemtic Name: 5-azanyl-N-[(3-methoxyphenyl)methyl]-1-(3-methylsulfanylphenyl)-1,2,3-triazole-4-carboxamide Openeye Name: 5-amino-N-[(3-methoxyphenyl)methyl]-1-(3-methylsulfanylphenyl)triazole-4-carboxamide CAS Name: 5-amino-N-[(3-methoxyphenyl)methyl]-1-[3-(methylthio)phenyl]-4-triazolecarboxamide IUPAC Name: 5-amino-N-[(3-methoxyphenyl)methyl]-1-(3-methylsulfanylphenyl)triazole-4-carboxamide Traditional Name: 5-amino-N-m-anisyl-1-[3-(methylthio)phenyl]triazole-4-carboxamide Formula: C18H19N5O2S MolecularWeight: 369.44076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNC(=O)C2=C(N(N=N2)C3=CC(=CC=C3)SC)N

Isomeric SMILES

COC1=CC=CC(=C1)CNC(=O)C2=C(N(N=N2)C3=CC(=CC=C3)SC)N

InChI

InChI=1S/C18H19N5O2S/c1-25-14-7-3-5-12(9-14)11-20-18(24)16-17(19)23(22-21-16)13-6-4-8-15(10-13)26-2/h3-10H,11,19H2,1-2H3,(H,20,24)