1-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-2-(2-nitrothiophen-3-yl)sulfanyl-ethanone

Systemtic Name: 1-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-2-(2-nitrothiophen-3-yl)sulfanyl-ethanone Openeye Name: 1-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-2-[(2-nitro-3-thienyl)sulfanyl]ethanone CAS Name: 1-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-2-[(2-nitro-3-thiophenyl)thio]ethanone IUPAC Name: 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-(2-nitrothiophen-3-yl)sulfanylethanone Traditional Name: 1-[4-(5-chloro-2-methyl-phenyl)piperazino]-2-[(2-nitro-3-thienyl)thio]ethanone Formula: C17H18ClN3O3S2 MolecularWeight: 411.92612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClN3O3S2/c1-12-2-3-13(18)10-14(12)19-5-7-20(8-6-19)16(22)11-26-15-4-9-25-17(15)21(23)24/h2-4,9-10H,5-8,11H2,1H3