2-methylsulfonyl-N-[3-(phenylmethylsulfanyl)-1,2,4-thiadiazol-5-yl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-methylsulfonyl-N-[3-(phenylmethylsulfanyl)-1,2,4-thiadiazol-5-yl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-(3-benzylsulfanyl-1,2,4-thiadiazol-5-yl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-methylsulfonyl-N-[3-(phenylmethylthio)-1,2,4-thiadiazol-5-yl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-(3-benzylsulfanyl-1,2,4-thiadiazol-5-yl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-[3-(benzylthio)-1,2,4-thiadiazol-5-yl]-2-mesyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C20H20N4O3S3 MolecularWeight: 460.5928

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=NC(=NS3)SCC4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=NC(=NS3)SCC4=CC=CC=C4

InChI

InChI=1S/C20H20N4O3S3/c1-30(26,27)24-12-16-10-6-5-9-15(16)11-17(24)18(25)21-19-22-20(23-29-19)28-13-14-7-3-2-4-8-14/h2-10,17H,11-13H2,1H3,(H,21,22,23,25)