4-[(E)-(4-chloranyl-3-nitro-phenyl)methylideneamino]-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-[(E)-(4-chloranyl-3-nitro-phenyl)methylideneamino]-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(E)-(4-chloro-3-nitro-phenyl)methyleneamino]-3-(3-pyridyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-3-(3-pyridinyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione Traditional Name: 4-[(E)-(4-chloro-3-nitro-benzylidene)amino]-3-(3-pyridyl)-1H-1,2,4-triazole-5-thione Formula: C14H9ClN6O2S MolecularWeight: 360.77826

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C2=NNC(=S)N2N=CC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CN=C1)C2=NNC(=S)N2/N=C/C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C14H9ClN6O2S/c15-11-4-3-9(6-12(11)21(22)23)7-17-20-13(18-19-14(20)24)10-2-1-5-16-8-10/h1-8H,(H,19,24)/b17-7+