3-[2-(2,4,6-trimethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]-1,2,5-thiadiazole

Systemtic Name: 3-[2-(2,4,6-trimethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]-1,2,5-thiadiazole Openeye Name: 3-[2-(2,4,6-trimethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]-1,2,5-thiadiazole CAS Name: 3-[2-(2,4,6-trimethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]-1,2,5-thiadiazole IUPAC Name: 3-[2-(2,4,6-trimethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]-1,2,5-thiadiazole Traditional Name: 3-(2-mesitylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)-1,2,5-thiadiazole Formula: C20H21N3O2S2 MolecularWeight: 399.52964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC3=CC=CC=C3C2C4=NSN=C4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC3=CC=CC=C3C2C4=NSN=C4)C

InChI

InChI=1S/C20H21N3O2S2/c1-13-10-14(2)20(15(3)11-13)27(24,25)23-9-8-16-6-4-5-7-17(16)19(23)18-12-21-26-22-18/h4-7,10-12,19H,8-9H2,1-3H3