4-(furan-2-yl)-2-phenacylsulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 4-(furan-2-yl)-2-phenacylsulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 4-(2-furyl)-2-phenacylsulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 4-(2-furanyl)-2-(phenacylthio)-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 4-(furan-2-yl)-2-phenacylsulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 4-(2-furyl)-2-(phenacylthio)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C22H18N2O2S MolecularWeight: 374.45552

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(C(=N2)SCC(=O)C3=CC=CC=C3)C#N)C4=CC=CO4

Isomeric SMILES

C1CCC2=C(C1)C(=C(C(=N2)SCC(=O)C3=CC=CC=C3)C#N)C4=CC=CO4

InChI

InChI=1S/C22H18N2O2S/c23-13-17-21(20-11-6-12-26-20)16-9-4-5-10-18(16)24-22(17)27-14-19(25)15-7-2-1-3-8-15/h1-3,6-8,11-12H,4-5,9-10,14H2