1-ethyl-3-[2-oxidanylidene-2-(4-propan-2-ylphenyl)ethyl]sulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Systemtic Name: 1-ethyl-3-[2-oxidanylidene-2-(4-propan-2-ylphenyl)ethyl]sulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 1-ethyl-3-[2-(4-isopropylphenyl)-2-oxo-ethyl]sulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 1-ethyl-3-[[2-oxo-2-(4-propan-2-ylphenyl)ethyl]thio]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 1-ethyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]sulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 1-ethyl-3-[(2-keto-2-p-cumenyl-ethyl)thio]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C23H26N2OS MolecularWeight: 378.53034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2OS/c1-4-21-19-8-6-5-7-18(19)20(13-24)23(25-21)27-14-22(26)17-11-9-16(10-12-17)15(2)3/h9-12,15H,4-8,14H2,1-3H3