1-[(1S)-7-methoxy-1-methyl-6-oxidanyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone

Systemtic Name: 1-[(1S)-7-methoxy-1-methyl-6-oxidanyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone Openeye Name: 1-[(1S)-6-hydroxy-7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone CAS Name: 1-[(1S)-6-hydroxy-7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]ethanone IUPAC Name: 1-[(1S)-6-hydroxy-7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone Traditional Name: 1-[(1S)-6-hydroxy-7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]ethanone Formula: C16H19N3O3S2 MolecularWeight: 365.47036

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC(=C(C=C2CCN1C(=O)CSC3=NN=C(S3)C)O)OC

Isomeric SMILES

C[C@H]1C2=CC(=C(C=C2CCN1C(=O)CSC3=NN=C(S3)C)O)OC

InChI

InChI=1S/C16H19N3O3S2/c1-9-12-7-14(22-3)13(20)6-11(12)4-5-19(9)15(21)8-23-16-18-17-10(2)24-16/h6-7,9,20H,4-5,8H2,1-3H3/t9-/m0/s1