N-(4-methylphenyl)-1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: N-(4-methylphenyl)-1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,3-triazole-4-carboxamide Openeye Name: 1-phenyl-N-(p-tolyl)-5-(pyrimidin-2-ylsulfanylmethyl)triazole-4-carboxamide CAS Name: N-(4-methylphenyl)-1-phenyl-5-[(2-pyrimidinylthio)methyl]-4-triazolecarboxamide IUPAC Name: N-(4-methylphenyl)-1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)triazole-4-carboxamide Traditional Name: 1-phenyl-N-(p-tolyl)-5-[(2-pyrimidylthio)methyl]triazole-4-carboxamide Formula: C21H18N6OS MolecularWeight: 402.47222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C2=C(N(N=N2)C3=CC=CC=C3)CSC4=NC=CC=N4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C2=C(N(N=N2)C3=CC=CC=C3)CSC4=NC=CC=N4

InChI

InChI=1S/C21H18N6OS/c1-15-8-10-16(11-9-15)24-20(28)19-18(14-29-21-22-12-5-13-23-21)27(26-25-19)17-6-3-2-4-7-17/h2-13H,14H2,1H3,(H,24,28)