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

Systemtic Name: 2-azanyl-1-(5-cyclohexylsulfanyl-1,3,4-thiadiazol-2-yl)-7,7-dimethyl-5-oxidanylidene-4-thiophen-2-yl-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-1-(5-cyclohexylsulfanyl-1,3,4-thiadiazol-2-yl)-7,7-dimethyl-5-oxo-4-(2-thienyl)-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-1-[5-(cyclohexylthio)-1,3,4-thiadiazol-2-yl]-7,7-dimethyl-5-oxo-4-thiophen-2-yl-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-1-(5-cyclohexylsulfanyl-1,3,4-thiadiazol-2-yl)-7,7-dimethyl-5-oxo-4-thiophen-2-yl-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-1-[5-(cyclohexylthio)-1,3,4-thiadiazol-2-yl]-5-keto-7,7-dimethyl-4-(2-thienyl)-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C24H27N5OS3 MolecularWeight: 497.69908

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(=C(N2C3=NN=C(S3)SC4CCCCC4)N)C#N)C5=CC=CS5)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C(=C(N2C3=NN=C(S3)SC4CCCCC4)N)C#N)C5=CC=CS5)C(=O)C1)C

InChI

InChI=1S/C24H27N5OS3/c1-24(2)11-16-20(17(30)12-24)19(18-9-6-10-31-18)15(13-25)21(26)29(16)22-27-28-23(33-22)32-14-7-4-3-5-8-14/h6,9-10,14,19H,3-5,7-8,11-12,26H2,1-2H3