N-(3-bromophenyl)-5-(3,4-dimethoxyphenyl)-3-(methylsulfanylmethyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: N-(3-bromophenyl)-5-(3,4-dimethoxyphenyl)-3-(methylsulfanylmethyl)-1,2,3-triazole-4-carboxamide Openeye Name: N-(3-bromophenyl)-5-(3,4-dimethoxyphenyl)-3-(methylsulfanylmethyl)triazole-4-carboxamide CAS Name: N-(3-bromophenyl)-5-(3,4-dimethoxyphenyl)-3-[(methylthio)methyl]-4-triazolecarboxamide IUPAC Name: N-(3-bromophenyl)-5-(3,4-dimethoxyphenyl)-3-(methylsulfanylmethyl)triazole-4-carboxamide Traditional Name: N-(3-bromophenyl)-5-(3,4-dimethoxyphenyl)-3-[(methylthio)methyl]triazole-4-carboxamide Formula: C19H19BrN4O3S MolecularWeight: 463.34816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(N(N=N2)CSC)C(=O)NC3=CC(=CC=C3)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(N(N=N2)CSC)C(=O)NC3=CC(=CC=C3)Br)OC

InChI

InChI=1S/C19H19BrN4O3S/c1-26-15-8-7-12(9-16(15)27-2)17-18(24(11-28-3)23-22-17)19(25)21-14-6-4-5-13(20)10-14/h4-10H,11H2,1-3H3,(H,21,25)