1-(4-methylphenyl)sulfonyl-4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitro-phenyl]piperazine

Systemtic Name: 1-(4-methylphenyl)sulfonyl-4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitro-phenyl]piperazine Openeye Name: 1-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitro-phenyl]-4-(p-tolylsulfonyl)piperazine CAS Name: 1-(4-methylphenyl)sulfonyl-4-[3-[(4-methyl-1,2,4-triazol-3-yl)thio]-4-nitrophenyl]piperazine IUPAC Name: 1-(4-methylphenyl)sulfonyl-4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperazine Traditional Name: 1-[3-[(4-methyl-1,2,4-triazol-3-yl)thio]-4-nitro-phenyl]-4-tosyl-piperazine Formula: C20H22N6O4S2 MolecularWeight: 474.55648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])SC4=NN=CN4C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])SC4=NN=CN4C

InChI

InChI=1S/C20H22N6O4S2/c1-15-3-6-17(7-4-15)32(29,30)25-11-9-24(10-12-25)16-5-8-18(26(27)28)19(13-16)31-20-22-21-14-23(20)2/h3-8,13-14H,9-12H2,1-2H3