2-azanyl-4-(4-ethoxyphenyl)-1-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile

Systemtic Name: 2-azanyl-4-(4-ethoxyphenyl)-1-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-4-(4-ethoxyphenyl)-1-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-4-(4-ethoxyphenyl)-1-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-4-(4-ethoxyphenyl)-1-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-1-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-5-keto-7,7-dimethyl-4-p-phenetyl-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C24H27N5O2S2 MolecularWeight: 481.63348

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=NN=C(S4)SCC)N)C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=NN=C(S4)SCC)N)C#N

InChI

InChI=1S/C24H27N5O2S2/c1-5-31-15-9-7-14(8-10-15)19-16(13-25)21(26)29(22-27-28-23(33-22)32-6-2)17-11-24(3,4)12-18(30)20(17)19/h7-10,19H,5-6,11-12,26H2,1-4H3