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

Systemtic Name: 3-(2-oxidanylidenepropylsulfanyl)-1-thiophen-2-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-acetonylsulfanyl-1-(2-thienyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 3-(2-oxopropylthio)-1-thiophen-2-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-(2-oxopropylsulfanyl)-1-thiophen-2-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-(acetonylthio)-1-(2-thienyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C17H16N2OS2 MolecularWeight: 328.45174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2OS2/c1-11(20)10-22-17-14(9-18)12-5-2-3-6-13(12)16(19-17)15-7-4-8-21-15/h4,7-8H,2-3,5-6,10H2,1H3