[4-(4-methoxyphenyl)piperazin-1-yl]-[4-[(2-methylphenyl)methylsulfanyl]-3-nitro-phenyl]methanone

Systemtic Name: [4-(4-methoxyphenyl)piperazin-1-yl]-[4-[(2-methylphenyl)methylsulfanyl]-3-nitro-phenyl]methanone Openeye Name: [4-(4-methoxyphenyl)piperazin-1-yl]-[3-nitro-4-(o-tolylmethylsulfanyl)phenyl]methanone CAS Name: [4-(4-methoxyphenyl)-1-piperazinyl]-[4-[(2-methylphenyl)methylthio]-3-nitrophenyl]methanone IUPAC Name: [4-(4-methoxyphenyl)piperazin-1-yl]-[4-[(2-methylphenyl)methylsulfanyl]-3-nitrophenyl]methanone Traditional Name: [4-(4-methoxyphenyl)piperazino]-[4-[(2-methylbenzyl)thio]-3-nitro-phenyl]methanone Formula: C26H27N3O4S MolecularWeight: 477.57528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1CSC2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)OC)[N+](=O)[O-]

InChI

InChI=1S/C26H27N3O4S/c1-19-5-3-4-6-21(19)18-34-25-12-7-20(17-24(25)29(31)32)26(30)28-15-13-27(14-16-28)22-8-10-23(33-2)11-9-22/h3-12,17H,13-16,18H2,1-2H3