N-(2-methyl-3-nitro-phenyl)-3-(2-pyridin-2-ylethylsulfanyl)propanamide

Systemtic Name: N-(2-methyl-3-nitro-phenyl)-3-(2-pyridin-2-ylethylsulfanyl)propanamide Openeye Name: N-(2-methyl-3-nitro-phenyl)-3-[2-(2-pyridyl)ethylsulfanyl]propanamide CAS Name: N-(2-methyl-3-nitrophenyl)-3-[2-(2-pyridinyl)ethylthio]propanamide IUPAC Name: N-(2-methyl-3-nitrophenyl)-3-(2-pyridin-2-ylethylsulfanyl)propanamide Traditional Name: N-(2-methyl-3-nitro-phenyl)-3-[2-(2-pyridyl)ethylthio]propionamide Formula: C17H19N3O3S MolecularWeight: 345.41606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)CCSCCC2=CC=CC=N2

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)CCSCCC2=CC=CC=N2

InChI

InChI=1S/C17H19N3O3S/c1-13-15(6-4-7-16(13)20(22)23)19-17(21)9-12-24-11-8-14-5-2-3-10-18-14/h2-7,10H,8-9,11-12H2,1H3,(H,19,21)