4,7,7-trimethyl-5-oxidanylidene-2-prop-2-enylsulfanyl-1,4,6,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 4,7,7-trimethyl-5-oxidanylidene-2-prop-2-enylsulfanyl-1,4,6,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-allylsulfanyl-4,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile CAS Name: 4,7,7-trimethyl-5-oxo-2-(prop-2-enylthio)-1,4,6,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 4,7,7-trimethyl-5-oxo-2-prop-2-enylsulfanyl-1,4,6,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-(allylthio)-5-keto-4,7,7-trimethyl-1,4,6,8-tetrahydroquinoline-3-carbonitrile Formula: C16H20N2OS MolecularWeight: 288.4078

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=C(NC2=C1C(=O)CC(C2)(C)C)SCC=C)C#N

Isomeric SMILES

CC1C(=C(NC2=C1C(=O)CC(C2)(C)C)SCC=C)C#N

InChI

InChI=1S/C16H20N2OS/c1-5-6-20-15-11(9-17)10(2)14-12(18-15)7-16(3,4)8-13(14)19/h5,10,18H,1,6-8H2,2-4H3