6-ethanoyl-2-[3-(methylamino)-1-phenyl-propyl]sulfanyl-pyridine-3-carbonitrile

Systemtic Name: 6-ethanoyl-2-[3-(methylamino)-1-phenyl-propyl]sulfanyl-pyridine-3-carbonitrile Openeye Name: 6-acetyl-2-[3-(methylamino)-1-phenyl-propyl]sulfanyl-pyridine-3-carbonitrile CAS Name: 6-acetyl-2-[[3-(methylamino)-1-phenylpropyl]thio]-3-pyridinecarbonitrile IUPAC Name: 6-acetyl-2-[3-(methylamino)-1-phenylpropyl]sulfanylpyridine-3-carbonitrile Traditional Name: 6-acetyl-2-[[3-(methylamino)-1-phenyl-propyl]thio]nicotinonitrile Formula: C18H19N3OS MolecularWeight: 325.42796

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=NC(=C(C=C1)C#N)SC(CCNC)C2=CC=CC=C2

Isomeric SMILES

CC(=O)C1=NC(=C(C=C1)C#N)SC(CCNC)C2=CC=CC=C2

InChI

InChI=1S/C18H19N3OS/c1-13(22)16-9-8-15(12-19)18(21-16)23-17(10-11-20-2)14-6-4-3-5-7-14/h3-9,17,20H,10-11H2,1-2H3