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

Systemtic Name: 3-pyridin-4-yl-4-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1H-1,2,4-triazole-5-thione Openeye Name: 3-(4-pyridyl)-4-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1H-1,2,4-triazole-5-thione CAS Name: 3-pyridin-4-yl-4-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 3-pyridin-4-yl-4-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1H-1,2,4-triazole-5-thione Traditional Name: 3-(4-pyridyl)-4-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1H-1,2,4-triazole-5-thione Formula: C16H13N7S MolecularWeight: 335.38632

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=NC=N2)N3C(=NNC3=S)C4=CC=NC=C4

Isomeric SMILES

C1=CC(=CC=C1CN2C=NC=N2)N3C(=NNC3=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)