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

Systemtic Name: 2-azanyl-1-(3-bromophenyl)-4-(2-ethylsulfanyl-5-methyl-furan-3-yl)-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-1-(3-bromophenyl)-4-(2-ethylsulfanyl-5-methyl-3-furyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-1-(3-bromophenyl)-4-[2-(ethylthio)-5-methyl-3-furanyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-1-(3-bromophenyl)-4-(2-ethylsulfanyl-5-methylfuran-3-yl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-1-(3-bromophenyl)-4-[2-(ethylthio)-5-methyl-3-furyl]-5-keto-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C23H22BrN3O2S MolecularWeight: 484.40868

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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(=CC=C4)Br)N)C#N

Isomeric SMILES

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

InChI

InChI=1S/C23H22BrN3O2S/c1-3-30-23-16(10-13(2)29-23)20-17(12-25)22(26)27(15-7-4-6-14(24)11-15)18-8-5-9-19(28)21(18)20/h4,6-7,10-11,20H,3,5,8-9,26H2,1-2H3