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

Systemtic Name: 4-(3-methylphenyl)-3-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-5-phenyl-1,2,4-triazole Openeye Name: 3-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-4-(m-tolyl)-5-phenyl-1,2,4-triazole CAS Name: 4-(3-methylphenyl)-3-[(4-methylsulfonyl-2-nitrophenyl)thio]-5-phenyl-1,2,4-triazole IUPAC Name: 4-(3-methylphenyl)-3-(4-methylsulfonyl-2-nitrophenyl)sulfanyl-5-phenyl-1,2,4-triazole Traditional Name: 3-[(4-mesyl-2-nitro-phenyl)thio]-4-(m-tolyl)-5-phenyl-1,2,4-triazole Formula: C22H18N4O4S2 MolecularWeight: 466.53272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N4O4S2/c1-15-7-6-10-17(13-15)25-21(16-8-4-3-5-9-16)23-24-22(25)31-20-12-11-18(32(2,29)30)14-19(20)26(27)28/h3-14H,1-2H3