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

Systemtic Name: 2-azanyl-1-[5-(cyanomethylsulfanyl)-1,3,4-thiadiazol-2-yl]-7,7-dimethyl-5-oxidanylidene-4-(2,4,5-trimethoxyphenyl)-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-1-[5-(cyanomethylsulfanyl)-1,3,4-thiadiazol-2-yl]-7,7-dimethyl-5-oxo-4-(2,4,5-trimethoxyphenyl)-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-1-[5-(cyanomethylthio)-1,3,4-thiadiazol-2-yl]-7,7-dimethyl-5-oxo-4-(2,4,5-trimethoxyphenyl)-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-1-[5-(cyanomethylsulfanyl)-1,3,4-thiadiazol-2-yl]-7,7-dimethyl-5-oxo-4-(2,4,5-trimethoxyphenyl)-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-4-asaryl-1-[5-(cyanomethylthio)-1,3,4-thiadiazol-2-yl]-5-keto-7,7-dimethyl-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C25H26N6O4S2 MolecularWeight: 538.64174

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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=CC(=C(C=C4OC)OC)OC)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C(=C(N2C3=NN=C(S3)SCC#N)N)C#N)C4=CC(=C(C=C4OC)OC)OC)C(=O)C1)C

InChI

InChI=1S/C25H26N6O4S2/c1-25(2)10-15-21(16(32)11-25)20(13-8-18(34-4)19(35-5)9-17(13)33-3)14(12-27)22(28)31(15)23-29-30-24(37-23)36-7-6-26/h8-9,20H,7,10-11,28H2,1-5H3