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

Systemtic Name: 2-azanyl-4-(3-chlorophenyl)-7,7-dimethyl-5-oxidanylidene-1-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 1-(5-allylsulfanyl-1,3,4-thiadiazol-2-yl)-2-amino-4-(3-chlorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-4-(3-chlorophenyl)-7,7-dimethyl-5-oxo-1-[5-(prop-2-enylthio)-1,3,4-thiadiazol-2-yl]-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-4-(3-chlorophenyl)-7,7-dimethyl-5-oxo-1-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 1-[5-(allylthio)-1,3,4-thiadiazol-2-yl]-2-amino-4-(3-chlorophenyl)-5-keto-7,7-dimethyl-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C23H22ClN5OS2 MolecularWeight: 484.03668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22ClN5OS2/c1-4-8-31-22-28-27-21(32-22)29-16-10-23(2,3)11-17(30)19(16)18(15(12-25)20(29)26)13-6-5-7-14(24)9-13/h4-7,9,18H,1,8,10-11,26H2,2-3H3