5-ethanoyl-6-methyl-2-(quinolin-8-ylmethylsulfanyl)pyridine-3-carbonitrile

Systemtic Name: 5-ethanoyl-6-methyl-2-(quinolin-8-ylmethylsulfanyl)pyridine-3-carbonitrile Openeye Name: 5-acetyl-6-methyl-2-(8-quinolylmethylsulfanyl)pyridine-3-carbonitrile CAS Name: 5-acetyl-6-methyl-2-(8-quinolinylmethylthio)-3-pyridinecarbonitrile IUPAC Name: 5-acetyl-6-methyl-2-(quinolin-8-ylmethylsulfanyl)pyridine-3-carbonitrile Traditional Name: 5-acetyl-6-methyl-2-(8-quinolylmethylthio)nicotinonitrile Formula: C19H15N3OS MolecularWeight: 333.4069

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=N1)SCC2=CC=CC3=C2N=CC=C3)C#N)C(=O)C

Isomeric SMILES

CC1=C(C=C(C(=N1)SCC2=CC=CC3=C2N=CC=C3)C#N)C(=O)C

InChI

InChI=1S/C19H15N3OS/c1-12-17(13(2)23)9-16(10-20)19(22-12)24-11-15-6-3-5-14-7-4-8-21-18(14)15/h3-9H,11H2,1-2H3