3-[2-(3-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]-1,2,5-thiadiazole

Systemtic Name: 3-[2-(3-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]-1,2,5-thiadiazole Openeye Name: 3-[2-(3-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]-1,2,5-thiadiazole CAS Name: 3-[2-(3-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]-1,2,5-thiadiazole IUPAC Name: 3-[2-(3-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]-1,2,5-thiadiazole Traditional Name: 3-[2-(3-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]-1,2,5-thiadiazole Formula: C17H14N4O4S2 MolecularWeight: 402.44746

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2=CC=CC=C21)C3=NSN=C3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(C(C2=CC=CC=C21)C3=NSN=C3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H14N4O4S2/c22-21(23)13-5-3-6-14(10-13)27(24,25)20-9-8-12-4-1-2-7-15(12)17(20)16-11-18-26-19-16/h1-7,10-11,17H,8-9H2