4-(4-methylphenyl)sulfonyl-1-(4-nitrophenyl)-3,6-diphenyl-5,6-dihydro-1,2,4-triazine

Systemtic Name: 4-(4-methylphenyl)sulfonyl-1-(4-nitrophenyl)-3,6-diphenyl-5,6-dihydro-1,2,4-triazine Openeye Name: 1-(4-nitrophenyl)-3,6-diphenyl-4-(p-tolylsulfonyl)-5,6-dihydro-1,2,4-triazine CAS Name: 4-(4-methylphenyl)sulfonyl-1-(4-nitrophenyl)-3,6-diphenyl-5,6-dihydro-1,2,4-triazine IUPAC Name: 4-(4-methylphenyl)sulfonyl-1-(4-nitrophenyl)-3,6-diphenyl-5,6-dihydro-1,2,4-triazine Traditional Name: 1-(4-nitrophenyl)-3,6-diphenyl-4-tosyl-5,6-dihydro-1,2,4-triazine Formula: C28H24N4O4S MolecularWeight: 512.57956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC(N(N=C2C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC(N(N=C2C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C28H24N4O4S/c1-21-12-18-26(19-13-21)37(35,36)30-20-27(22-8-4-2-5-9-22)31(24-14-16-25(17-15-24)32(33)34)29-28(30)23-10-6-3-7-11-23/h2-19,27H,20H2,1H3