4-(2,4-dimethylphenyl)-3-(3-nitrophenyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-(2,4-dimethylphenyl)-3-(3-nitrophenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-(2,4-dimethylphenyl)-3-(3-nitrophenyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-(2,4-dimethylphenyl)-3-(3-nitrophenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(2,4-dimethylphenyl)-3-(3-nitrophenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-(2,4-dimethylphenyl)-3-(3-nitrophenyl)-1H-1,2,4-triazole-5-thione Formula: C16H14N4O2S MolecularWeight: 326.37296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N4O2S/c1-10-6-7-14(11(2)8-10)19-15(17-18-16(19)23)12-4-3-5-13(9-12)20(21)22/h3-9H,1-2H3,(H,18,23)