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

Systemtic Name: 2-ethylsulfanyl-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-ethylsulfanyl-4-(5-methyl-2-furyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-(ethylthio)-4-(5-methyl-2-furanyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-ethylsulfanyl-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-(ethylthio)-4-(5-methyl-2-furyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C17H18N2OS MolecularWeight: 298.40262

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(CCCC2)C(=C1C#N)C3=CC=C(O3)C

Isomeric SMILES

CCSC1=NC2=C(CCCC2)C(=C1C#N)C3=CC=C(O3)C

InChI

InChI=1S/C17H18N2OS/c1-3-21-17-13(10-18)16(15-9-8-11(2)20-15)12-6-4-5-7-14(12)19-17/h8-9H,3-7H2,1-2H3