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

Systemtic Name: 3-(3-methyl-5-phenyl-pyrazol-1-yl)-4-[(E)-(3-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione Openeye Name: 3-(3-methyl-5-phenyl-pyrazol-1-yl)-4-[(E)-(3-nitrophenyl)methyleneamino]-1H-1,2,4-triazole-5-thione CAS Name: 3-(3-methyl-5-phenyl-1-pyrazolyl)-4-[(E)-(3-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(3-methyl-5-phenylpyrazol-1-yl)-4-[(E)-(3-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione Traditional Name: 3-(3-methyl-5-phenyl-pyrazol-1-yl)-4-[(E)-(3-nitrobenzylidene)amino]-1H-1,2,4-triazole-5-thione Formula: C19H15N7O2S MolecularWeight: 405.4331

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C2=CC=CC=C2)C3=NNC(=S)N3N=CC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C(=C1)C2=CC=CC=C2)C3=NNC(=S)N3/N=C/C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H15N7O2S/c1-13-10-17(15-7-3-2-4-8-15)24(23-13)18-21-22-19(29)25(18)20-12-14-6-5-9-16(11-14)26(27)28/h2-12H,1H3,(H,22,29)/b20-12+