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

Systemtic Name: 2-phenyl-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]-1,2,3-triazole-4-carboxamide Openeye Name: 2-phenyl-N-[2-(3-thienylmethylsulfanyl)phenyl]triazole-4-carboxamide CAS Name: 2-phenyl-N-[2-(3-thiophenylmethylthio)phenyl]-4-triazolecarboxamide IUPAC Name: 2-phenyl-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]triazole-4-carboxamide Traditional Name: 2-phenyl-N-[2-(3-thenylthio)phenyl]triazole-4-carboxamide Formula: C20H16N4OS2 MolecularWeight: 392.49724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2N=CC(=N2)C(=O)NC3=CC=CC=C3SCC4=CSC=C4

Isomeric SMILES

C1=CC=C(C=C1)N2N=CC(=N2)C(=O)NC3=CC=CC=C3SCC4=CSC=C4

InChI

InChI=1S/C20H16N4OS2/c25-20(18-12-21-24(23-18)16-6-2-1-3-7-16)22-17-8-4-5-9-19(17)27-14-15-10-11-26-13-15/h1-13H,14H2,(H,22,25)