N-[[2-(dimethylamino)pyridin-3-yl]methyl]-2-(4-nitrophenyl)sulfanyl-propanamide

Systemtic Name: N-[[2-(dimethylamino)pyridin-3-yl]methyl]-2-(4-nitrophenyl)sulfanyl-propanamide Openeye Name: N-[[2-(dimethylamino)-3-pyridyl]methyl]-2-(4-nitrophenyl)sulfanyl-propanamide CAS Name: N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-[(4-nitrophenyl)thio]propanamide IUPAC Name: N-[[2-(dimethylamino)pyridin-3-yl]methyl]-2-(4-nitrophenyl)sulfanylpropanamide Traditional Name: N-[[2-(dimethylamino)-3-pyridyl]methyl]-2-[(4-nitrophenyl)thio]propionamide Formula: C17H20N4O3S MolecularWeight: 360.4307

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=C(N=CC=C1)N(C)C)SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NCC1=C(N=CC=C1)N(C)C)SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H20N4O3S/c1-12(25-15-8-6-14(7-9-15)21(23)24)17(22)19-11-13-5-4-10-18-16(13)20(2)3/h4-10,12H,11H2,1-3H3,(H,19,22)