5-pyridin-4-yl-4-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-triazole-3-thiolate

Systemtic Name: 5-pyridin-4-yl-4-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-triazole-3-thiolate Openeye Name: 5-(4-pyridyl)-4-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-triazole-3-thiolate CAS Name: 5-pyridin-4-yl-4-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-triazole-3-thiolate IUPAC Name: 5-pyridin-4-yl-4-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-triazole-3-thiolate Traditional Name: 5-(4-pyridyl)-4-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-triazole-3-thiolate Formula: C16H12N7S- MolecularWeight: 334.37838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=NC=N2)N3C(=NN=C3[S-])C4=CC=NC=C4

Isomeric SMILES

C1=CC(=CC=C1CN2C=NC=N2)N3C(=NN=C3[S-])C4=CC=NC=C4

InChI

InChI=1S/C16H13N7S/c24-16-21-20-15(13-5-7-17-8-6-13)23(16)14-3-1-12(2-4-14)9-22-11-18-10-19-22/h1-8,10-11H,9H2,(H,21,24)/p-1