4-(3,4-dimethylphenyl)-3-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-5-phenyl-1,2,4-triazole

Systemtic Name: 4-(3,4-dimethylphenyl)-3-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-5-phenyl-1,2,4-triazole Openeye Name: 4-(3,4-dimethylphenyl)-3-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-5-phenyl-1,2,4-triazole CAS Name: 4-(3,4-dimethylphenyl)-3-[(3-methyl-5-nitro-4-imidazolyl)thio]-5-phenyl-1,2,4-triazole IUPAC Name: 4-(3,4-dimethylphenyl)-3-(3-methyl-5-nitroimidazol-4-yl)sulfanyl-5-phenyl-1,2,4-triazole Traditional Name: 4-(3,4-dimethylphenyl)-3-[(3-methyl-5-nitro-imidazol-4-yl)thio]-5-phenyl-1,2,4-triazole Formula: C20H18N6O2S MolecularWeight: 406.46092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=NN=C2SC3=C(N=CN3C)[N+](=O)[O-])C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NN=C2SC3=C(N=CN3C)[N+](=O)[O-])C4=CC=CC=C4)C

InChI

InChI=1S/C20H18N6O2S/c1-13-9-10-16(11-14(13)2)25-17(15-7-5-4-6-8-15)22-23-20(25)29-19-18(26(27)28)21-12-24(19)3/h4-12H,1-3H3