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

Systemtic Name: 4-(3,4-dimethylphenyl)-3-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-5-phenyl-1,2,4-triazole Openeye Name: 4-(3,4-dimethylphenyl)-3-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-5-phenyl-1,2,4-triazole CAS Name: 4-(3,4-dimethylphenyl)-3-[(4-methylsulfonyl-2-nitrophenyl)thio]-5-phenyl-1,2,4-triazole IUPAC Name: 4-(3,4-dimethylphenyl)-3-(4-methylsulfonyl-2-nitrophenyl)sulfanyl-5-phenyl-1,2,4-triazole Traditional Name: 4-(3,4-dimethylphenyl)-3-[(4-mesyl-2-nitro-phenyl)thio]-5-phenyl-1,2,4-triazole Formula: C23H20N4O4S2 MolecularWeight: 480.5593

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20N4O4S2/c1-15-9-10-18(13-16(15)2)26-22(17-7-5-4-6-8-17)24-25-23(26)32-21-12-11-19(33(3,30)31)14-20(21)27(28)29/h4-14H,1-3H3