3-(2-methylpropylsulfanyl)-1-thiophen-2-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Systemtic Name: 3-(2-methylpropylsulfanyl)-1-thiophen-2-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-isobutylsulfanyl-1-(2-thienyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 3-(2-methylpropylthio)-1-thiophen-2-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-(2-methylpropylsulfanyl)-1-thiophen-2-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-(isobutylthio)-1-(2-thienyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C18H20N2S2 MolecularWeight: 328.4948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2S2/c1-12(2)11-22-18-15(10-19)13-6-3-4-7-14(13)17(20-18)16-8-5-9-21-16/h5,8-9,12H,3-4,6-7,11H2,1-2H3