4-[(7-chloranyl-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-7-pyridin-2-ylsulfanyl-2,1,3-benzoxadiazole

Systemtic Name: 4-[(7-chloranyl-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-7-pyridin-2-ylsulfanyl-2,1,3-benzoxadiazole Openeye Name: 4-[(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-7-(2-pyridylsulfanyl)-2,1,3-benzoxadiazole CAS Name: 4-[(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-7-(2-pyridinylthio)-2,1,3-benzoxadiazole IUPAC Name: 4-[(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-7-pyridin-2-ylsulfanyl-2,1,3-benzoxadiazole Traditional Name: 4-[(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-7-(2-pyridylthio)benzofurazan Formula: C20H15ClN4O3S2 MolecularWeight: 458.9411

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)Cl)S(=O)(=O)C3=CC=C(C4=NON=C34)SC5=CC=CC=N5

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)Cl)S(=O)(=O)C3=CC=C(C4=NON=C34)SC5=CC=CC=N5

InChI

InChI=1S/C20H15ClN4O3S2/c21-15-5-4-13-8-10-25(12-14(13)11-15)30(26,27)17-7-6-16(19-20(17)24-28-23-19)29-18-3-1-2-9-22-18/h1-7,9,11H,8,10,12H2