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

Systemtic Name: 2-azanyl-4-(4-chlorophenyl)-1-(5-cyclohexylsulfanyl-1,3,4-thiadiazol-2-yl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-4-(4-chlorophenyl)-1-(5-cyclohexylsulfanyl-1,3,4-thiadiazol-2-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-4-(4-chlorophenyl)-1-[5-(cyclohexylthio)-1,3,4-thiadiazol-2-yl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-4-(4-chlorophenyl)-1-(5-cyclohexylsulfanyl-1,3,4-thiadiazol-2-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-4-(4-chlorophenyl)-1-[5-(cyclohexylthio)-1,3,4-thiadiazol-2-yl]-5-keto-7,7-dimethyl-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C26H28ClN5OS2 MolecularWeight: 526.11642

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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=C(C=C5)Cl)C(=O)C1)C

Isomeric SMILES

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

InChI

InChI=1S/C26H28ClN5OS2/c1-26(2)12-19-22(20(33)13-26)21(15-8-10-16(27)11-9-15)18(14-28)23(29)32(19)24-30-31-25(35-24)34-17-6-4-3-5-7-17/h8-11,17,21H,3-7,12-13,29H2,1-2H3