1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanone

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanone Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methyltetrazol-5-yl)sulfanyl-ethanone CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(1-methyl-5-tetrazolyl)thio]ethanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(1-methyltetrazol-5-yl)thio]ethanone Formula: C13H15N5OS MolecularWeight: 289.3561

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCC(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CN1C(=NN=N1)SCC(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C13H15N5OS/c1-17-13(14-15-16-17)20-9-12(19)18-7-6-10-4-2-3-5-11(10)8-18/h2-5H,6-9H2,1H3