4-methyl-2-(2-oxidanylidenepropylsulfanyl)-6-(1-phenylethylamino)pyridine-3-carbonitrile

Systemtic Name: 4-methyl-2-(2-oxidanylidenepropylsulfanyl)-6-(1-phenylethylamino)pyridine-3-carbonitrile Openeye Name: 2-acetonylsulfanyl-4-methyl-6-(1-phenylethylamino)pyridine-3-carbonitrile CAS Name: 4-methyl-2-(2-oxopropylthio)-6-(1-phenylethylamino)-3-pyridinecarbonitrile IUPAC Name: 4-methyl-2-(2-oxopropylsulfanyl)-6-(1-phenylethylamino)pyridine-3-carbonitrile Traditional Name: 2-(acetonylthio)-4-methyl-6-(1-phenylethylamino)nicotinonitrile Formula: C18H19N3OS MolecularWeight: 325.42796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC(=O)C)NC(C)C2=CC=CC=C2

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCC(=O)C)NC(C)C2=CC=CC=C2

InChI

InChI=1S/C18H19N3OS/c1-12-9-17(20-14(3)15-7-5-4-6-8-15)21-18(16(12)10-19)23-11-13(2)22/h4-9,14H,11H2,1-3H3,(H,20,21)