3-(3-cyano-6-propan-2-yl-pyridin-2-yl)sulfanyl-N-(2-methyl-5-nitro-phenyl)propanamide

Systemtic Name: 3-(3-cyano-6-propan-2-yl-pyridin-2-yl)sulfanyl-N-(2-methyl-5-nitro-phenyl)propanamide Openeye Name: 3-[(3-cyano-6-isopropyl-2-pyridyl)sulfanyl]-N-(2-methyl-5-nitro-phenyl)propanamide CAS Name: 3-[(3-cyano-6-propan-2-yl-2-pyridinyl)thio]-N-(2-methyl-5-nitrophenyl)propanamide IUPAC Name: 3-(3-cyano-6-propan-2-ylpyridin-2-yl)sulfanyl-N-(2-methyl-5-nitrophenyl)propanamide Traditional Name: 3-[(3-cyano-6-isopropyl-2-pyridyl)thio]-N-(2-methyl-5-nitro-phenyl)propionamide Formula: C19H20N4O3S MolecularWeight: 384.4521

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCSC2=C(C=CC(=N2)C(C)C)C#N

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCSC2=C(C=CC(=N2)C(C)C)C#N

InChI

InChI=1S/C19H20N4O3S/c1-12(2)16-7-5-14(11-20)19(22-16)27-9-8-18(24)21-17-10-15(23(25)26)6-4-13(17)3/h4-7,10,12H,8-9H2,1-3H3,(H,21,24)