3-[4-[(6-chloranyl-1-oxidanylidene-4-phenyl-3-propanoyl-isoquinolin-2-yl)methyl]phenyl]-2H-1,2,4-thiadiazol-5-one

Systemtic Name: 3-[4-[(6-chloranyl-1-oxidanylidene-4-phenyl-3-propanoyl-isoquinolin-2-yl)methyl]phenyl]-2H-1,2,4-thiadiazol-5-one Openeye Name: 3-[4-[(6-chloro-1-oxo-4-phenyl-3-propanoyl-2-isoquinolyl)methyl]phenyl]-2H-1,2,4-thiadiazol-5-one CAS Name: 3-[4-[[6-chloro-1-oxo-3-(1-oxopropyl)-4-phenyl-2-isoquinolinyl]methyl]phenyl]-2H-1,2,4-thiadiazol-5-one IUPAC Name: 3-[4-[(6-chloro-1-oxo-4-phenyl-3-propanoylisoquinolin-2-yl)methyl]phenyl]-2H-1,2,4-thiadiazol-5-one Traditional Name: 3-[4-[(6-chloro-1-keto-4-phenyl-3-propionyl-2-isoquinolyl)methyl]phenyl]-2H-1,2,4-thiadiazol-5-one Formula: C27H20ClN3O3S MolecularWeight: 501.984

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(C2=C(C=CC(=C2)Cl)C(=O)N1CC3=CC=C(C=C3)C4=NC(=O)SN4)C5=CC=CC=C5

Isomeric SMILES

CCC(=O)C1=C(C2=C(C=CC(=C2)Cl)C(=O)N1CC3=CC=C(C=C3)C4=NC(=O)SN4)C5=CC=CC=C5

InChI

InChI=1S/C27H20ClN3O3S/c1-2-22(32)24-23(17-6-4-3-5-7-17)21-14-19(28)12-13-20(21)26(33)31(24)15-16-8-10-18(11-9-16)25-29-27(34)35-30-25/h3-14H,2,15H2,1H3,(H,29,30,34)