6-butylsulfanyl-4-(2-chlorophenyl)-2-oxidanylidene-3,4-dihydro-1H-pyridine-5-carbonitrile

Systemtic Name: 6-butylsulfanyl-4-(2-chlorophenyl)-2-oxidanylidene-3,4-dihydro-1H-pyridine-5-carbonitrile Openeye Name: 6-butylsulfanyl-4-(2-chlorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile CAS Name: 6-(butylthio)-4-(2-chlorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile IUPAC Name: 6-butylsulfanyl-4-(2-chlorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile Traditional Name: 6-(butylthio)-4-(2-chlorophenyl)-2-keto-3,4-dihydro-1H-pyridine-5-carbonitrile Formula: C16H17ClN2OS MolecularWeight: 320.83698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=C(C(CC(=O)N1)C2=CC=CC=C2Cl)C#N

Isomeric SMILES

CCCCSC1=C(C(CC(=O)N1)C2=CC=CC=C2Cl)C#N

InChI

InChI=1S/C16H17ClN2OS/c1-2-3-8-21-16-13(10-18)12(9-15(20)19-16)11-6-4-5-7-14(11)17/h4-7,12H,2-3,8-9H2,1H3,(H,19,20)