5-chloranyl-4-[[(1R)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-1,2,3-thiadiazole

Systemtic Name: 5-chloranyl-4-[[(1R)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-1,2,3-thiadiazole Openeye Name: 5-chloro-4-[[(1R)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]methyl]thiadiazole CAS Name: 5-chloro-4-[[(1R)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]methyl]thiadiazole IUPAC Name: 5-chloro-4-[[(1R)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]methyl]thiadiazole Traditional Name: 5-chloro-4-[[(1R)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]methyl]thiadiazole Formula: C20H20ClN3O2S MolecularWeight: 401.9097

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)CC3=C(SN=N3)Cl)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2[C@H](N(CCC2=C1)CC3=C(SN=N3)Cl)C4=CC=CC=C4)OC

InChI

InChI=1S/C20H20ClN3O2S/c1-25-17-10-14-8-9-24(12-16-20(21)27-23-22-16)19(13-6-4-3-5-7-13)15(14)11-18(17)26-2/h3-7,10-11,19H,8-9,12H2,1-2H3/t19-/m1/s1