4-azanyl-5-ethanoyl-6-methyl-2-(phenylmethylsulfanyl)pyridine-3-carbonitrile

Systemtic Name: 4-azanyl-5-ethanoyl-6-methyl-2-(phenylmethylsulfanyl)pyridine-3-carbonitrile Openeye Name: 5-acetyl-4-amino-2-benzylsulfanyl-6-methyl-pyridine-3-carbonitrile CAS Name: 5-acetyl-4-amino-6-methyl-2-(phenylmethylthio)-3-pyridinecarbonitrile IUPAC Name: 5-acetyl-4-amino-2-benzylsulfanyl-6-methylpyridine-3-carbonitrile Traditional Name: 5-acetyl-4-amino-2-(benzylthio)-6-methyl-nicotinonitrile Formula: C16H15N3OS MolecularWeight: 297.3748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=N1)SCC2=CC=CC=C2)C#N)N)C(=O)C

Isomeric SMILES

CC1=C(C(=C(C(=N1)SCC2=CC=CC=C2)C#N)N)C(=O)C

InChI

InChI=1S/C16H15N3OS/c1-10-14(11(2)20)15(18)13(8-17)16(19-10)21-9-12-6-4-3-5-7-12/h3-7H,9H2,1-2H3,(H2,18,19)