2-azanyl-1-[5-(cyanomethylsulfanyl)-1,3,4-thiadiazol-2-yl]-7,7-dimethyl-5-oxidanylidene-4-phenyl-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-phenyl-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-phenyl-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-phenyl-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-phenyl-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-1-[5-(cyanomethylthio)-1,3,4-thiadiazol-2-yl]-5-keto-7,7-dimethyl-4-phenyl-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C22H20N6OS2 MolecularWeight: 448.5638

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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=CC=C4)C(=O)C1)C

Isomeric SMILES

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

InChI

InChI=1S/C22H20N6OS2/c1-22(2)10-15-18(16(29)11-22)17(13-6-4-3-5-7-13)14(12-24)19(25)28(15)20-26-27-21(31-20)30-9-8-23/h3-7,17H,9-11,25H2,1-2H3