1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-(2-nitrothiophen-3-yl)sulfanyl-ethanone

Systemtic Name: 1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-(2-nitrothiophen-3-yl)sulfanyl-ethanone Openeye Name: 1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-[(2-nitro-3-thienyl)sulfanyl]ethanone CAS Name: 1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-2-[(2-nitro-3-thiophenyl)thio]ethanone IUPAC Name: 1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-(2-nitrothiophen-3-yl)sulfanylethanone Traditional Name: 1-[4-(2,5-dimethylphenyl)piperazino]-2-[(2-nitro-3-thienyl)thio]ethanone Formula: C18H21N3O3S2 MolecularWeight: 391.50764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O3S2/c1-13-3-4-14(2)15(11-13)19-6-8-20(9-7-19)17(22)12-26-16-5-10-25-18(16)21(23)24/h3-5,10-11H,6-9,12H2,1-2H3