2-azanyl-1-[5-(cyanomethylsulfanyl)-1,3,4-thiadiazol-2-yl]-7,7-dimethyl-5-oxidanylidene-4-pyridin-3-yl-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-pyridin-3-yl-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-(3-pyridyl)-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-(3-pyridinyl)-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-pyridin-3-yl-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-(3-pyridyl)-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C21H19N7OS2 MolecularWeight: 449.55186

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N7OS2/c1-21(2)8-14-17(15(29)9-21)16(12-4-3-6-25-11-12)13(10-23)18(24)28(14)19-26-27-20(31-19)30-7-5-22/h3-4,6,11,16H,7-9,24H2,1-2H3