2-azanyl-1-(5-cyclohexylsulfanyl-1,3,4-thiadiazol-2-yl)-7,7-dimethyl-5-oxidanylidene-4-pyridin-3-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-pyridin-3-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-(3-pyridyl)-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-(3-pyridinyl)-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-pyridin-3-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-(3-pyridyl)-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C25H28N6OS2 MolecularWeight: 492.65942

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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=CN=CC=C5)C(=O)C1)C

Isomeric SMILES

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

InChI

InChI=1S/C25H28N6OS2/c1-25(2)11-18-21(19(32)12-25)20(15-7-6-10-28-14-15)17(13-26)22(27)31(18)23-29-30-24(34-23)33-16-8-4-3-5-9-16/h6-7,10,14,16,20H,3-5,8-9,11-12,27H2,1-2H3