N-(2-methyl-4-pyrrolidin-1-yl-phenyl)-2-(4-nitrophenyl)sulfanyl-ethanamide

Systemtic Name: N-(2-methyl-4-pyrrolidin-1-yl-phenyl)-2-(4-nitrophenyl)sulfanyl-ethanamide Openeye Name: N-(2-methyl-4-pyrrolidin-1-yl-phenyl)-2-(4-nitrophenyl)sulfanyl-acetamide CAS Name: N-[2-methyl-4-(1-pyrrolidinyl)phenyl]-2-[(4-nitrophenyl)thio]acetamide IUPAC Name: N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-(4-nitrophenyl)sulfanylacetamide Traditional Name: N-(2-methyl-4-pyrrolidino-phenyl)-2-[(4-nitrophenyl)thio]acetamide Formula: C19H21N3O3S MolecularWeight: 371.45334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCCC2)NC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCCC2)NC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O3S/c1-14-12-16(21-10-2-3-11-21)6-9-18(14)20-19(23)13-26-17-7-4-15(5-8-17)22(24)25/h4-9,12H,2-3,10-11,13H2,1H3,(H,20,23)