2-[[5-[2-azanyl-3-cyano-4-(3-methylphenyl)-5-oxidanylidene-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(5-chloranylpyridin-2-yl)ethanamide

Systemtic Name: 2-[[5-[2-azanyl-3-cyano-4-(3-methylphenyl)-5-oxidanylidene-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(5-chloranylpyridin-2-yl)ethanamide Openeye Name: 2-[[5-[2-amino-3-cyano-4-(m-tolyl)-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(5-chloro-2-pyridyl)acetamide CAS Name: 2-[[5-[2-amino-3-cyano-4-(3-methylphenyl)-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]thio]-N-(5-chloro-2-pyridinyl)acetamide IUPAC Name: 2-[[5-[2-amino-3-cyano-4-(3-methylphenyl)-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(5-chloropyridin-2-yl)acetamide Traditional Name: 2-[[5-[2-amino-3-cyano-5-keto-4-(m-tolyl)-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]thio]-N-(5-chloro-2-pyridyl)acetamide Formula: C26H22ClN7O2S2 MolecularWeight: 564.08158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=NN=C(S4)SCC(=O)NC5=NC=C(C=C5)Cl)N)C#N

Isomeric SMILES

CC1=CC=CC(=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=NN=C(S4)SCC(=O)NC5=NC=C(C=C5)Cl)N)C#N

InChI

InChI=1S/C26H22ClN7O2S2/c1-14-4-2-5-15(10-14)22-17(11-28)24(29)34(18-6-3-7-19(35)23(18)22)25-32-33-26(38-25)37-13-21(36)31-20-9-8-16(27)12-30-20/h2,4-5,8-10,12,22H,3,6-7,13,29H2,1H3,(H,30,31,36)