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

Systemtic Name: 3-phenacylsulfanyl-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-phenacylsulfanyl-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 3-(phenacylthio)-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-phenacylsulfanyl-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-(phenacylthio)-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C24H20N2OS MolecularWeight: 384.4934

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(N=C(C(=C2C1)C#N)SCC(=O)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCC2=C(N=C(C(=C2C1)C#N)SCC(=O)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H20N2OS/c25-15-21-19-13-7-8-14-20(19)23(18-11-5-2-6-12-18)26-24(21)28-16-22(27)17-9-3-1-4-10-17/h1-6,9-12H,7-8,13-14,16H2