4-[(3-nitrophenyl)methylamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-[(3-nitrophenyl)methylamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(3-nitrophenyl)methylamino]-3-(4-pyridyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-[(3-nitrophenyl)methylamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(3-nitrophenyl)methylamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione Traditional Name: 4-[(3-nitrobenzyl)amino]-3-(4-pyridyl)-1H-1,2,4-triazole-5-thione Formula: C14H12N6O2S MolecularWeight: 328.34908

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])CNN2C(=NNC2=S)C3=CC=NC=C3

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])CNN2C(=NNC2=S)C3=CC=NC=C3

InChI

InChI=1S/C14H12N6O2S/c21-20(22)12-3-1-2-10(8-12)9-16-19-13(17-18-14(19)23)11-4-6-15-7-5-11/h1-8,16H,9H2,(H,18,23)