3-phenyl-4-(pyridin-3-ylmethyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-phenyl-4-(pyridin-3-ylmethyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-phenyl-4-(3-pyridylmethyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-phenyl-4-(3-pyridinylmethyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-phenyl-4-(pyridin-3-ylmethyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-phenyl-4-(3-pyridylmethyl)-1H-1,2,4-triazole-5-thione Formula: C14H12N4S MolecularWeight: 268.33688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NNC(=S)N2CC3=CN=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C2=NNC(=S)N2CC3=CN=CC=C3

InChI

InChI=1S/C14H12N4S/c19-14-17-16-13(12-6-2-1-3-7-12)18(14)10-11-5-4-8-15-9-11/h1-9H,10H2,(H,17,19)