3-(6-azanyl-3,5-dicyano-4-propan-2-yl-pyridin-2-yl)sulfanyl-N-(3-methylphenyl)propanamide

Systemtic Name: 3-(6-azanyl-3,5-dicyano-4-propan-2-yl-pyridin-2-yl)sulfanyl-N-(3-methylphenyl)propanamide Openeye Name: 3-[(6-amino-3,5-dicyano-4-isopropyl-2-pyridyl)sulfanyl]-N-(m-tolyl)propanamide CAS Name: 3-[(6-amino-3,5-dicyano-4-propan-2-yl-2-pyridinyl)thio]-N-(3-methylphenyl)propanamide IUPAC Name: 3-(6-amino-3,5-dicyano-4-propan-2-ylpyridin-2-yl)sulfanyl-N-(3-methylphenyl)propanamide Traditional Name: 3-[(6-amino-3,5-dicyano-4-isopropyl-2-pyridyl)thio]-N-(m-tolyl)propionamide Formula: C20H21N5OS MolecularWeight: 379.47864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CCSC2=C(C(=C(C(=N2)N)C#N)C(C)C)C#N

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CCSC2=C(C(=C(C(=N2)N)C#N)C(C)C)C#N

InChI

InChI=1S/C20H21N5OS/c1-12(2)18-15(10-21)19(23)25-20(16(18)11-22)27-8-7-17(26)24-14-6-4-5-13(3)9-14/h4-6,9,12H,7-8H2,1-3H3,(H2,23,25)(H,24,26)