2-azanyl-1-(3-chloranyl-4-fluoranyl-phenyl)-4-(2-ethylsulfanyl-5-methyl-furan-3-yl)-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2-azanyl-1-(3-chloranyl-4-fluoranyl-phenyl)-4-(2-ethylsulfanyl-5-methyl-furan-3-yl)-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-1-(3-chloro-4-fluoro-phenyl)-4-(2-ethylsulfanyl-5-methyl-3-furyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-1-(3-chloro-4-fluorophenyl)-4-[2-(ethylthio)-5-methyl-3-furanyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-1-(3-chloro-4-fluorophenyl)-4-(2-ethylsulfanyl-5-methylfuran-3-yl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-1-(3-chloro-4-fluoro-phenyl)-4-[2-(ethylthio)-5-methyl-3-furyl]-5-keto-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C23H21ClFN3O2S MolecularWeight: 457.948143

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C=C(O1)C)C2C(=C(N(C3=C2C(=O)CCC3)C4=CC(=C(C=C4)F)Cl)N)C#N

Isomeric SMILES

CCSC1=C(C=C(O1)C)C2C(=C(N(C3=C2C(=O)CCC3)C4=CC(=C(C=C4)F)Cl)N)C#N

InChI

InChI=1S/C23H21ClFN3O2S/c1-3-31-23-14(9-12(2)30-23)20-15(11-26)22(27)28(13-7-8-17(25)16(24)10-13)18-5-4-6-19(29)21(18)20/h7-10,20H,3-6,27H2,1-2H3