1-phenyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-phenyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-1,2,3-triazole-4-carboxamide Openeye Name: 1-phenyl-N-[4-(3-pyridylmethylsulfanyl)phenyl]triazole-4-carboxamide CAS Name: 1-phenyl-N-[4-(3-pyridinylmethylthio)phenyl]-4-triazolecarboxamide IUPAC Name: 1-phenyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]triazole-4-carboxamide Traditional Name: 1-phenyl-N-[4-(3-pyridylmethylthio)phenyl]triazole-4-carboxamide Formula: C21H17N5OS MolecularWeight: 387.45758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(N=N2)C(=O)NC3=CC=C(C=C3)SCC4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(N=N2)C(=O)NC3=CC=C(C=C3)SCC4=CN=CC=C4

InChI

InChI=1S/C21H17N5OS/c27-21(20-14-26(25-24-20)18-6-2-1-3-7-18)23-17-8-10-19(11-9-17)28-15-16-5-4-12-22-13-16/h1-14H,15H2,(H,23,27)