2-butylsulfanyl-5-ethanoyl-6-methyl-4-pyridin-3-yl-1,4-dihydropyridine-3-carbonitrile

Systemtic Name: 2-butylsulfanyl-5-ethanoyl-6-methyl-4-pyridin-3-yl-1,4-dihydropyridine-3-carbonitrile Openeye Name: 5-acetyl-2-butylsulfanyl-6-methyl-4-(3-pyridyl)-1,4-dihydropyridine-3-carbonitrile CAS Name: 5-acetyl-2-(butylthio)-6-methyl-4-(3-pyridinyl)-1,4-dihydropyridine-3-carbonitrile IUPAC Name: 5-acetyl-2-butylsulfanyl-6-methyl-4-pyridin-3-yl-1,4-dihydropyridine-3-carbonitrile Traditional Name: 5-acetyl-2-(butylthio)-6-methyl-4-(3-pyridyl)-1,4-dihydropyridine-3-carbonitrile Formula: C18H21N3OS MolecularWeight: 327.44384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3OS/c1-4-5-9-23-18-15(10-19)17(14-7-6-8-20-11-14)16(13(3)22)12(2)21-18/h6-8,11,17,21H,4-5,9H2,1-3H3