[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-[3-nitro-4-(pyridin-3-ylmethylsulfanyl)phenyl]methanone

Systemtic Name: [3-methyl-4-(3-methylphenyl)piperazin-1-yl]-[3-nitro-4-(pyridin-3-ylmethylsulfanyl)phenyl]methanone Openeye Name: [3-methyl-4-(m-tolyl)piperazin-1-yl]-[3-nitro-4-(3-pyridylmethylsulfanyl)phenyl]methanone CAS Name: [3-methyl-4-(3-methylphenyl)-1-piperazinyl]-[3-nitro-4-(3-pyridinylmethylthio)phenyl]methanone IUPAC Name: [3-methyl-4-(3-methylphenyl)piperazin-1-yl]-[3-nitro-4-(pyridin-3-ylmethylsulfanyl)phenyl]methanone Traditional Name: [3-methyl-4-(m-tolyl)piperazino]-[3-nitro-4-(3-pyridylmethylthio)phenyl]methanone Formula: C25H26N4O3S MolecularWeight: 462.56394

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=CC(=C2)C)C(=O)C3=CC(=C(C=C3)SCC4=CN=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1CN(CCN1C2=CC=CC(=C2)C)C(=O)C3=CC(=C(C=C3)SCC4=CN=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H26N4O3S/c1-18-5-3-7-22(13-18)28-12-11-27(16-19(28)2)25(30)21-8-9-24(23(14-21)29(31)32)33-17-20-6-4-10-26-15-20/h3-10,13-15,19H,11-12,16-17H2,1-2H3