3-(4-bromanyl-2-nitro-phenyl)sulfanyl-4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazole

Systemtic Name: 3-(4-bromanyl-2-nitro-phenyl)sulfanyl-4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazole Openeye Name: 3-(4-bromo-2-nitro-phenyl)sulfanyl-4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazole CAS Name: 3-[(4-bromo-2-nitrophenyl)thio]-4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazole IUPAC Name: 3-(4-bromo-2-nitrophenyl)sulfanyl-4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazole Traditional Name: 3-[(4-bromo-2-nitro-phenyl)thio]-4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazole Formula: C22H17BrN4O2S MolecularWeight: 481.36498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=NN=C2SC3=C(C=C(C=C3)Br)[N+](=O)[O-])C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NN=C2SC3=C(C=C(C=C3)Br)[N+](=O)[O-])C4=CC=CC=C4)C

InChI

InChI=1S/C22H17BrN4O2S/c1-14-8-10-18(12-15(14)2)26-21(16-6-4-3-5-7-16)24-25-22(26)30-20-11-9-17(23)13-19(20)27(28)29/h3-13H,1-2H3