2-azanyl-1-[5-(cyanomethylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-(2,5-dimethoxyphenyl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile

Systemtic Name: 2-azanyl-1-[5-(cyanomethylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-(2,5-dimethoxyphenyl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-1-[5-(cyanomethylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-(2,5-dimethoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-1-[5-(cyanomethylthio)-1,3,4-thiadiazol-2-yl]-4-(2,5-dimethoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-1-[5-(cyanomethylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-(2,5-dimethoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-1-[5-(cyanomethylthio)-1,3,4-thiadiazol-2-yl]-4-(2,5-dimethoxyphenyl)-5-keto-7,7-dimethyl-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C24H24N6O3S2 MolecularWeight: 508.61576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24N6O3S2/c1-24(2)10-16-20(17(31)11-24)19(14-9-13(32-3)5-6-18(14)33-4)15(12-26)21(27)30(16)22-28-29-23(35-22)34-8-7-25/h5-6,9,19H,8,10-11,27H2,1-4H3