N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-(3-nitro-4-sulfanyl-phenyl)prop-2-enamide

Systemtic Name: N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-(3-nitro-4-sulfanyl-phenyl)prop-2-enamide Openeye Name: N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-(3-nitro-4-sulfanyl-phenyl)prop-2-enamide CAS Name: 2-(4-mercapto-3-nitrophenyl)-N-[2-(1-methyl-2-pyrrolidinyl)ethyl]-2-propenamide IUPAC Name: N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-(3-nitro-4-sulfanylphenyl)prop-2-enamide Traditional Name: 2-(4-mercapto-3-nitro-phenyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]acrylamide Formula: C16H21N3O3S MolecularWeight: 335.42124

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC1CCNC(=O)C(=C)C2=CC(=C(C=C2)S)[N+](=O)[O-]

Isomeric SMILES

CN1CCCC1CCNC(=O)C(=C)C2=CC(=C(C=C2)S)[N+](=O)[O-]

InChI

InChI=1S/C16H21N3O3S/c1-11(12-5-6-15(23)14(10-12)19(21)22)16(20)17-8-7-13-4-3-9-18(13)2/h5-6,10,13,23H,1,3-4,7-9H2,2H3,(H,17,20)