2-phenacylsulfanyl-4-pyridin-3-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2-phenacylsulfanyl-4-pyridin-3-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-phenacylsulfanyl-4-(3-pyridyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-(phenacylthio)-4-(3-pyridinyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-phenacylsulfanyl-4-pyridin-3-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-(phenacylthio)-4-(3-pyridyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C23H19N3OS MolecularWeight: 385.48146

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(C(=N2)SCC(=O)C3=CC=CC=C3)C#N)C4=CN=CC=C4

Isomeric SMILES

C1CCC2=C(C1)C(=C(C(=N2)SCC(=O)C3=CC=CC=C3)C#N)C4=CN=CC=C4

InChI

InChI=1S/C23H19N3OS/c24-13-19-22(17-9-6-12-25-14-17)18-10-4-5-11-20(18)26-23(19)28-15-21(27)16-7-2-1-3-8-16/h1-3,6-9,12,14H,4-5,10-11,15H2