1-ethyl-3-phenacylsulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Systemtic Name: 1-ethyl-3-phenacylsulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 1-ethyl-3-phenacylsulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 1-ethyl-3-(phenacylthio)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 1-ethyl-3-phenacylsulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 1-ethyl-3-(phenacylthio)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C20H20N2OS MolecularWeight: 336.4506

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2CCCCC2=C(C(=N1)SCC(=O)C3=CC=CC=C3)C#N

Isomeric SMILES

CCC1=C2CCCCC2=C(C(=N1)SCC(=O)C3=CC=CC=C3)C#N

InChI

InChI=1S/C20H20N2OS/c1-2-18-16-11-7-6-10-15(16)17(12-21)20(22-18)24-13-19(23)14-8-4-3-5-9-14/h3-5,8-9H,2,6-7,10-11,13H2,1H3