2-[[5-(2-azanyl-3-cyano-7,7-dimethyl-5-oxidanylidene-4-pyridin-3-yl-6,8-dihydro-4H-quinolin-1-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanamide

Systemtic Name: 2-[[5-(2-azanyl-3-cyano-7,7-dimethyl-5-oxidanylidene-4-pyridin-3-yl-6,8-dihydro-4H-quinolin-1-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanamide Openeye Name: 2-[[5-[2-amino-3-cyano-7,7-dimethyl-5-oxo-4-(3-pyridyl)-6,8-dihydro-4H-quinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide CAS Name: 2-[[5-[2-amino-3-cyano-7,7-dimethyl-5-oxo-4-(3-pyridinyl)-6,8-dihydro-4H-quinolin-1-yl]-1,3,4-thiadiazol-2-yl]thio]acetamide IUPAC Name: 2-[[5-(2-amino-3-cyano-7,7-dimethyl-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-quinolin-1-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide Traditional Name: 2-[[5-[2-amino-3-cyano-5-keto-7,7-dimethyl-4-(3-pyridyl)-6,8-dihydro-4H-quinolin-1-yl]-1,3,4-thiadiazol-2-yl]thio]acetamide Formula: C21H21N7O2S2 MolecularWeight: 467.56714

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C21H21N7O2S2/c1-21(2)6-13-17(14(29)7-21)16(11-4-3-5-25-9-11)12(8-22)18(24)28(13)19-26-27-20(32-19)31-10-15(23)30/h3-5,9,16H,6-7,10,24H2,1-2H3,(H2,23,30)