4-(3-methylphenyl)-3-[4-[(4-nitropyrazol-1-yl)methyl]phenyl]-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-(3-methylphenyl)-3-[4-[(4-nitropyrazol-1-yl)methyl]phenyl]-1H-1,2,4-triazole-5-thione Openeye Name: 4-(m-tolyl)-3-[4-[(4-nitropyrazol-1-yl)methyl]phenyl]-1H-1,2,4-triazole-5-thione CAS Name: 4-(3-methylphenyl)-3-[4-[(4-nitro-1-pyrazolyl)methyl]phenyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(3-methylphenyl)-3-[4-[(4-nitropyrazol-1-yl)methyl]phenyl]-1H-1,2,4-triazole-5-thione Traditional Name: 4-(m-tolyl)-3-[4-[(4-nitropyrazol-1-yl)methyl]phenyl]-1H-1,2,4-triazole-5-thione Formula: C19H16N6O2S MolecularWeight: 392.43434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NNC2=S)C3=CC=C(C=C3)CN4C=C(C=N4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NNC2=S)C3=CC=C(C=C3)CN4C=C(C=N4)[N+](=O)[O-]

InChI

InChI=1S/C19H16N6O2S/c1-13-3-2-4-16(9-13)24-18(21-22-19(24)28)15-7-5-14(6-8-15)11-23-12-17(10-20-23)25(26)27/h2-10,12H,11H2,1H3,(H,22,28)