[4-(2,3-dimethylphenyl)piperazin-1-yl]-[3-nitro-4-(pyridin-3-ylmethylsulfanyl)phenyl]methanone

Systemtic Name: [4-(2,3-dimethylphenyl)piperazin-1-yl]-[3-nitro-4-(pyridin-3-ylmethylsulfanyl)phenyl]methanone Openeye Name: [4-(2,3-dimethylphenyl)piperazin-1-yl]-[3-nitro-4-(3-pyridylmethylsulfanyl)phenyl]methanone CAS Name: [4-(2,3-dimethylphenyl)-1-piperazinyl]-[3-nitro-4-(3-pyridinylmethylthio)phenyl]methanone IUPAC Name: [4-(2,3-dimethylphenyl)piperazin-1-yl]-[3-nitro-4-(pyridin-3-ylmethylsulfanyl)phenyl]methanone Traditional Name: [4-(2,3-dimethylphenyl)piperazino]-[3-nitro-4-(3-pyridylmethylthio)phenyl]methanone Formula: C25H26N4O3S MolecularWeight: 462.56394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)SCC4=CN=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)SCC4=CN=CC=C4)[N+](=O)[O-])C

InChI

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