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

Systemtic Name: N-[(4-methylphenyl)methyl]-1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,3-triazole-4-carboxamide Openeye Name: 1-phenyl-N-(p-tolylmethyl)-5-(pyrimidin-2-ylsulfanylmethyl)triazole-4-carboxamide CAS Name: N-[(4-methylphenyl)methyl]-1-phenyl-5-[(2-pyrimidinylthio)methyl]-4-triazolecarboxamide IUPAC Name: N-[(4-methylphenyl)methyl]-1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)triazole-4-carboxamide Traditional Name: N-(4-methylbenzyl)-1-phenyl-5-[(2-pyrimidylthio)methyl]triazole-4-carboxamide Formula: C22H20N6OS MolecularWeight: 416.4988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N6OS/c1-16-8-10-17(11-9-16)14-25-21(29)20-19(15-30-22-23-12-5-13-24-22)28(27-26-20)18-6-3-2-4-7-18/h2-13H,14-15H2,1H3,(H,25,29)