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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C2=NN=C(N2C3=CC=C(C=C3)CN4C=NC=N4)[S-]

Isomeric SMILES

C1=CC(=CN=C1)C2=NN=C(N2C3=CC=C(C=C3)CN4C=NC=N4)[S-]

InChI

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