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

Systemtic Name: 2-azanyl-1-(2-ethylphenyl)-4-(2-ethylsulfanyl-5-methyl-furan-3-yl)-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-1-(2-ethylphenyl)-4-(2-ethylsulfanyl-5-methyl-3-furyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-1-(2-ethylphenyl)-4-[2-(ethylthio)-5-methyl-3-furanyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-1-(2-ethylphenyl)-4-(2-ethylsulfanyl-5-methylfuran-3-yl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-1-(2-ethylphenyl)-4-[2-(ethylthio)-5-methyl-3-furyl]-5-keto-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C25H27N3O2S MolecularWeight: 433.56578

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2C3=C(C(C(=C2N)C#N)C4=C(OC(=C4)C)SCC)C(=O)CCC3

Isomeric SMILES

CCC1=CC=CC=C1N2C3=C(C(C(=C2N)C#N)C4=C(OC(=C4)C)SCC)C(=O)CCC3

InChI

InChI=1S/C25H27N3O2S/c1-4-16-9-6-7-10-19(16)28-20-11-8-12-21(29)23(20)22(18(14-26)24(28)27)17-13-15(3)30-25(17)31-5-2/h6-7,9-10,13,22H,4-5,8,11-12,27H2,1-3H3