4-[(6-chloranyl-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-7-(4-methoxyphenyl)sulfanyl-2,1,3-benzoxadiazole

Systemtic Name: 4-[(6-chloranyl-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-7-(4-methoxyphenyl)sulfanyl-2,1,3-benzoxadiazole Openeye Name: 4-[(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-7-(4-methoxyphenyl)sulfanyl-2,1,3-benzoxadiazole CAS Name: 4-[(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-7-[(4-methoxyphenyl)thio]-2,1,3-benzoxadiazole IUPAC Name: 4-[(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-7-(4-methoxyphenyl)sulfanyl-2,1,3-benzoxadiazole Traditional Name: 4-[(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-7-[(4-methoxyphenyl)thio]benzofurazan Formula: C22H18ClN3O4S2 MolecularWeight: 487.97902

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SC2=CC=C(C3=NON=C23)S(=O)(=O)N4CCC5=C(C4)C=CC(=C5)Cl

Isomeric SMILES

COC1=CC=C(C=C1)SC2=CC=C(C3=NON=C23)S(=O)(=O)N4CCC5=C(C4)C=CC(=C5)Cl

InChI

InChI=1S/C22H18ClN3O4S2/c1-29-17-4-6-18(7-5-17)31-19-8-9-20(22-21(19)24-30-25-22)32(27,28)26-11-10-14-12-16(23)3-2-15(14)13-26/h2-9,12H,10-11,13H2,1H3