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

Systemtic Name: 2-azanyl-4-(4-chlorophenyl)-7,7-dimethyl-1-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-4-(4-chlorophenyl)-7,7-dimethyl-1-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-4-(4-chlorophenyl)-7,7-dimethyl-1-[5-(methylthio)-1,3,4-thiadiazol-2-yl]-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-4-(4-chlorophenyl)-7,7-dimethyl-1-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-4-(4-chlorophenyl)-5-keto-7,7-dimethyl-1-[5-(methylthio)-1,3,4-thiadiazol-2-yl]-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C21H20ClN5OS2 MolecularWeight: 457.9994

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(=C(N2C3=NN=C(S3)SC)N)C#N)C4=CC=C(C=C4)Cl)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C(=C(N2C3=NN=C(S3)SC)N)C#N)C4=CC=C(C=C4)Cl)C(=O)C1)C

InChI

InChI=1S/C21H20ClN5OS2/c1-21(2)8-14-17(15(28)9-21)16(11-4-6-12(22)7-5-11)13(10-23)18(24)27(14)19-25-26-20(29-3)30-19/h4-7,16H,8-9,24H2,1-3H3