6-tert-butyl-2-(2-oxidanylidenepropylsulfanyl)-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 6-tert-butyl-2-(2-oxidanylidenepropylsulfanyl)-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-acetonylsulfanyl-6-tert-butyl-4-(2-thienyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 6-tert-butyl-2-(2-oxopropylthio)-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 6-tert-butyl-2-(2-oxopropylsulfanyl)-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-(acetonylthio)-6-tert-butyl-4-(2-thienyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C21H24N2OS2 MolecularWeight: 384.55806

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NC2=C(CC(CC2)C(C)(C)C)C(=C1C#N)C3=CC=CS3

Isomeric SMILES

CC(=O)CSC1=NC2=C(CC(CC2)C(C)(C)C)C(=C1C#N)C3=CC=CS3

InChI

InChI=1S/C21H24N2OS2/c1-13(24)12-26-20-16(11-22)19(18-6-5-9-25-18)15-10-14(21(2,3)4)7-8-17(15)23-20/h5-6,9,14H,7-8,10,12H2,1-4H3