1-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-7-oxidanyl-3,4-dihydro-2H-isoquinolin-6-one hydrochloride

Systemtic Name: 1-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-7-oxidanyl-3,4-dihydro-2H-isoquinolin-6-one hydrochloride Openeye Name: 7-hydroxy-1-[(1-methyltetrazol-5-yl)sulfanylmethyl]-3,4-dihydro-2H-isoquinolin-6-one hydrochloride CAS Name: 7-hydroxy-1-[[(1-methyl-5-tetrazolyl)thio]methyl]-3,4-dihydro-2H-isoquinolin-6-one hydrochloride IUPAC Name: 7-hydroxy-1-[(1-methyltetrazol-5-yl)sulfanylmethyl]-3,4-dihydro-2H-isoquinolin-6-one hydrochloride Traditional Name: 7-hydroxy-1-[[(1-methyltetrazol-5-yl)thio]methyl]-3,4-dihydro-2H-isoquinolin-6-one hydrochloride Formula: C12H14ClN5O2S MolecularWeight: 327.78986

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCC2=C3C=C(C(=O)C=C3CCN2)O.Cl

Isomeric SMILES

CN1C(=NN=N1)SCC2=C3C=C(C(=O)C=C3CCN2)O.Cl

InChI

InChI=1S/C12H13N5O2S.ClH/c1-17-12(14-15-16-17)20-6-9-8-5-11(19)10(18)4-7(8)2-3-13-9;/h4-5,13,19H,2-3,6H2,1H3;1H