3-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-1-thiophen-2-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Systemtic Name: 3-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-1-thiophen-2-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-(3,3-dimethyl-2-oxo-butyl)sulfanyl-1-(2-thienyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 3-[(3,3-dimethyl-2-oxobutyl)thio]-1-thiophen-2-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-(3,3-dimethyl-2-oxobutyl)sulfanyl-1-thiophen-2-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-[(2-keto-3,3-dimethyl-butyl)thio]-1-(2-thienyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C20H22N2OS2 MolecularWeight: 370.53148

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NC(=C2CCCCC2=C1C#N)C3=CC=CS3

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NC(=C2CCCCC2=C1C#N)C3=CC=CS3

InChI

InChI=1S/C20H22N2OS2/c1-20(2,3)17(23)12-25-19-15(11-21)13-7-4-5-8-14(13)18(22-19)16-9-6-10-24-16/h6,9-10H,4-5,7-8,12H2,1-3H3