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

Systemtic Name: N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-[3-nitro-4-(2-propan-2-ylphenyl)sulfanyl-phenyl]prop-2-enamide Openeye Name: 2-[4-(2-isopropylphenyl)sulfanyl-3-nitro-phenyl]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]prop-2-enamide CAS Name: N-[2-(1-methyl-2-pyrrolidinyl)ethyl]-2-[3-nitro-4-[(2-propan-2-ylphenyl)thio]phenyl]-2-propenamide IUPAC Name: N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-[3-nitro-4-(2-propan-2-ylphenyl)sulfanylphenyl]prop-2-enamide Traditional Name: N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-[3-nitro-4-(o-cumenylthio)phenyl]acrylamide Formula: C25H31N3O3S MolecularWeight: 453.59694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1SC2=C(C=C(C=C2)C(=C)C(=O)NCCC3CCCN3C)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=CC=C1SC2=C(C=C(C=C2)C(=C)C(=O)NCCC3CCCN3C)[N+](=O)[O-]

InChI

InChI=1S/C25H31N3O3S/c1-17(2)21-9-5-6-10-23(21)32-24-12-11-19(16-22(24)28(30)31)18(3)25(29)26-14-13-20-8-7-15-27(20)4/h5-6,9-12,16-17,20H,3,7-8,13-15H2,1-2,4H3,(H,26,29)