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

Systemtic Name: 4-(5-methylfuran-2-yl)-2-phenacylsulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 4-(5-methyl-2-furyl)-2-phenacylsulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 4-(5-methyl-2-furanyl)-2-(phenacylthio)-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 4-(5-methylfuran-2-yl)-2-phenacylsulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 4-(5-methyl-2-furyl)-2-(phenacylthio)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C23H20N2O2S MolecularWeight: 388.4821

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2=C(C(=NC3=C2CCCC3)SCC(=O)C4=CC=CC=C4)C#N

Isomeric SMILES

CC1=CC=C(O1)C2=C(C(=NC3=C2CCCC3)SCC(=O)C4=CC=CC=C4)C#N

InChI

InChI=1S/C23H20N2O2S/c1-15-11-12-21(27-15)22-17-9-5-6-10-19(17)25-23(18(22)13-24)28-14-20(26)16-7-3-2-4-8-16/h2-4,7-8,11-12H,5-6,9-10,14H2,1H3