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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NNC(=S)N2N=CC3=CC=CC=C3[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=NN1C2=NNC(=S)N2/N=C/C3=CC=CC=C3[N+](=O)[O-])C4=CC=CC=C4

InChI

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