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

Systemtic Name: 5-ethanoyl-6-methyl-4-pyridin-3-yl-2-sulfanyl-1,4-dihydropyridine-3-carbonitrile Openeye Name: 5-acetyl-6-methyl-4-(3-pyridyl)-2-sulfanyl-1,4-dihydropyridine-3-carbonitrile CAS Name: 5-acetyl-2-mercapto-6-methyl-4-(3-pyridinyl)-1,4-dihydropyridine-3-carbonitrile IUPAC Name: 5-acetyl-6-methyl-4-pyridin-3-yl-2-sulfanyl-1,4-dihydropyridine-3-carbonitrile Traditional Name: 5-acetyl-2-mercapto-6-methyl-4-(3-pyridyl)-1,4-dihydropyridine-3-carbonitrile Formula: C14H13N3OS MolecularWeight: 271.33752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)S)C#N)C2=CN=CC=C2)C(=O)C

Isomeric SMILES

CC1=C(C(C(=C(N1)S)C#N)C2=CN=CC=C2)C(=O)C

InChI

InChI=1S/C14H13N3OS/c1-8-12(9(2)18)13(10-4-3-5-16-7-10)11(6-15)14(19)17-8/h3-5,7,13,17,19H,1-2H3