N-(2-cyanoethyl)-2-phenylsulfanyl-N-(pyridin-3-ylmethyl)propanamide

Systemtic Name: N-(2-cyanoethyl)-2-phenylsulfanyl-N-(pyridin-3-ylmethyl)propanamide Openeye Name: N-(2-cyanoethyl)-2-phenylsulfanyl-N-(3-pyridylmethyl)propanamide CAS Name: N-(2-cyanoethyl)-2-(phenylthio)-N-(3-pyridinylmethyl)propanamide IUPAC Name: N-(2-cyanoethyl)-2-phenylsulfanyl-N-(pyridin-3-ylmethyl)propanamide Traditional Name: N-(2-cyanoethyl)-2-(phenylthio)-N-(3-pyridylmethyl)propionamide Formula: C18H19N3OS MolecularWeight: 325.42796

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CCC#N)CC1=CN=CC=C1)SC2=CC=CC=C2

Isomeric SMILES

CC(C(=O)N(CCC#N)CC1=CN=CC=C1)SC2=CC=CC=C2

InChI

InChI=1S/C18H19N3OS/c1-15(23-17-8-3-2-4-9-17)18(22)21(12-6-10-19)14-16-7-5-11-20-13-16/h2-5,7-9,11,13,15H,6,12,14H2,1H3