4-[(E)-(3-nitrophenyl)methylideneamino]-5-pyridin-3-yl-1,2,4-triazole-3-thiolate

Systemtic Name: 4-[(E)-(3-nitrophenyl)methylideneamino]-5-pyridin-3-yl-1,2,4-triazole-3-thiolate Openeye Name: 4-[(E)-(3-nitrophenyl)methyleneamino]-5-(3-pyridyl)-1,2,4-triazole-3-thiolate CAS Name: 4-[(E)-(3-nitrophenyl)methylideneamino]-5-(3-pyridinyl)-1,2,4-triazole-3-thiolate IUPAC Name: 4-[(E)-(3-nitrophenyl)methylideneamino]-5-pyridin-3-yl-1,2,4-triazole-3-thiolate Traditional Name: 4-[(E)-(3-nitrobenzylidene)amino]-5-(3-pyridyl)-1,2,4-triazole-3-thiolate Formula: C14H9N6O2S- MolecularWeight: 325.32526

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C=NN2C(=NN=C2[S-])C3=CN=CC=C3

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])/C=N/N2C(=NN=C2[S-])C3=CN=CC=C3

InChI

InChI=1S/C14H10N6O2S/c21-20(22)12-5-1-3-10(7-12)8-16-19-13(17-18-14(19)23)11-4-2-6-15-9-11/h1-9H,(H,18,23)/p-1/b16-8+