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

Systemtic Name: 4-[(7-chloranyl-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-7-(3-ethoxyphenyl)sulfanyl-2,1,3-benzoxadiazole Openeye Name: 4-[(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-7-(3-ethoxyphenyl)sulfanyl-2,1,3-benzoxadiazole CAS Name: 4-[(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-7-[(3-ethoxyphenyl)thio]-2,1,3-benzoxadiazole IUPAC Name: 4-[(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-7-(3-ethoxyphenyl)sulfanyl-2,1,3-benzoxadiazole Traditional Name: 4-[(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-7-(m-phenetylthio)benzofurazan Formula: C23H20ClN3O4S2 MolecularWeight: 502.0056

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC=C1)SC2=CC=C(C3=NON=C23)S(=O)(=O)N4CCC5=C(C4)C=C(C=C5)Cl

Isomeric SMILES

CCOC1=CC(=CC=C1)SC2=CC=C(C3=NON=C23)S(=O)(=O)N4CCC5=C(C4)C=C(C=C5)Cl

InChI

InChI=1S/C23H20ClN3O4S2/c1-2-30-18-4-3-5-19(13-18)32-20-8-9-21(23-22(20)25-31-26-23)33(28,29)27-11-10-15-6-7-17(24)12-16(15)14-27/h3-9,12-13H,2,10-11,14H2,1H3