2-(2,4-dimethylphenyl)sulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(2,4-dimethylphenyl)sulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone Openeye Name: 2-(2,4-dimethylphenyl)sulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone CAS Name: 2-[(2,4-dimethylphenyl)thio]-1-[4-(4-nitrophenyl)-1-piperazinyl]ethanone IUPAC Name: 2-(2,4-dimethylphenyl)sulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone Traditional Name: 2-[(2,4-dimethylphenyl)thio]-1-[4-(4-nitrophenyl)piperazino]ethanone Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O3S/c1-15-3-8-19(16(2)13-15)27-14-20(24)22-11-9-21(10-12-22)17-4-6-18(7-5-17)23(25)26/h3-8,13H,9-12,14H2,1-2H3