1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(2-nitrophenyl)sulfanyl-ethanone

Systemtic Name: 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(2-nitrophenyl)sulfanyl-ethanone Openeye Name: 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(2-nitrophenyl)sulfanyl-ethanone CAS Name: 1-[4-(2,3-dimethylphenyl)-1-piperazinyl]-2-[(2-nitrophenyl)thio]ethanone IUPAC Name: 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(2-nitrophenyl)sulfanylethanone Traditional Name: 1-[4-(2,3-dimethylphenyl)piperazino]-2-[(2-nitrophenyl)thio]ethanone Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CSC3=CC=CC=C3[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CSC3=CC=CC=C3[N+](=O)[O-])C

InChI

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