4-[(E)-(4-nitrophenyl)methylideneamino]-3-(3-phenyl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-[(E)-(4-nitrophenyl)methylideneamino]-3-(3-phenyl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(E)-(4-nitrophenyl)methyleneamino]-3-(3-phenyl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione CAS Name: 4-[(E)-(4-nitrophenyl)methylideneamino]-3-(3-phenyl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(E)-(4-nitrophenyl)methylideneamino]-3-(3-phenyl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-[(E)-(4-nitrobenzylidene)amino]-3-(3-phenyl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione Formula: C18H13N7O2S MolecularWeight: 391.40652

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NNC(=C2)C3=NNC(=S)N3N=CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NNC(=C2)C3=NNC(=S)N3/N=C/C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H13N7O2S/c26-25(27)14-8-6-12(7-9-14)11-19-24-17(22-23-18(24)28)16-10-15(20-21-16)13-4-2-1-3-5-13/h1-11H,(H,20,21)(H,23,28)/b19-11+