N-(3-chloranyl-4-cyano-phenyl)-2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]propanamide

Systemtic Name: N-(3-chloranyl-4-cyano-phenyl)-2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]propanamide Openeye Name: N-(3-chloro-4-cyano-phenyl)-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]propanamide CAS Name: N-(3-chloro-4-cyanophenyl)-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]propanamide IUPAC Name: N-(3-chloro-4-cyanophenyl)-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]propanamide Traditional Name: N-(3-chloro-4-cyano-phenyl)-2-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]propionamide Formula: C17H17ClN4O2S MolecularWeight: 376.86048

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SC(C)C(=O)NC2=CC(=C(C=C2)C#N)Cl

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SC(C)C(=O)NC2=CC(=C(C=C2)C#N)Cl

InChI

InChI=1S/C17H17ClN4O2S/c1-3-4-12-8-15(23)22-17(21-12)25-10(2)16(24)20-13-6-5-11(9-19)14(18)7-13/h5-8,10H,3-4H2,1-2H3,(H,20,24)(H,21,22,23)