1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-(4-nitrophenyl)sulfanyl-ethanone

Systemtic Name: 1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-(4-nitrophenyl)sulfanyl-ethanone Openeye Name: 1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-(4-nitrophenyl)sulfanyl-ethanone CAS Name: 1-[2-(4-methoxyphenyl)-1-pyrrolidinyl]-2-[(4-nitrophenyl)thio]ethanone IUPAC Name: 1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-(4-nitrophenyl)sulfanylethanone Traditional Name: 1-[2-(4-methoxyphenyl)pyrrolidino]-2-[(4-nitrophenyl)thio]ethanone Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCN2C(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2CCCN2C(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O4S/c1-25-16-8-4-14(5-9-16)18-3-2-12-20(18)19(22)13-26-17-10-6-15(7-11-17)21(23)24/h4-11,18H,2-3,12-13H2,1H3