N-[3-[(4-chlorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-[3-[(4-chlorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-[3-[(4-chlorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-[3-[(4-chlorophenyl)methylthio]-1H-1,2,4-triazol-5-yl]-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-[3-[(4-chlorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-[3-[(4-chlorobenzyl)thio]-1H-1,2,4-triazol-5-yl]-2-mesyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C20H20ClN5O3S2 MolecularWeight: 477.9875

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=NC(=NN3)SCC4=CC=C(C=C4)Cl

Isomeric SMILES

CS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=NC(=NN3)SCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H20ClN5O3S2/c1-31(28,29)26-11-15-5-3-2-4-14(15)10-17(26)18(27)22-19-23-20(25-24-19)30-12-13-6-8-16(21)9-7-13/h2-9,17H,10-12H2,1H3,(H2,22,23,24,25,27)