5-[[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophen-2-yl]methyl]-3-methyl-1H-pyridazin-6-one

Systemtic Name: 5-[[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophen-2-yl]methyl]-3-methyl-1H-pyridazin-6-one Openeye Name: 5-[[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-thienyl]methyl]-3-methyl-1H-pyridazin-6-one CAS Name: 5-[[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-thiophenyl]methyl]-3-methyl-1H-pyridazin-6-one IUPAC Name: 5-[[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophen-2-yl]methyl]-3-methyl-1H-pyridazin-6-one Traditional Name: 5-[[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-thienyl]methyl]-3-methyl-1H-pyridazin-6-one Formula: C19H19N3O3S2 MolecularWeight: 401.50246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=O)C(=C1)CC2=CC=C(S2)S(=O)(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=NNC(=O)C(=C1)CC2=CC=C(S2)S(=O)(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C19H19N3O3S2/c1-13-10-16(19(23)21-20-13)11-17-6-7-18(26-17)27(24,25)22-9-8-14-4-2-3-5-15(14)12-22/h2-7,10H,8-9,11-12H2,1H3,(H,21,23)