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

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(1-ethyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanone Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-ethyltetrazol-5-yl)sulfanyl-ethanone CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(1-ethyl-5-tetrazolyl)thio]ethanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-ethyltetrazol-5-yl)sulfanylethanone Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(1-ethyltetrazol-5-yl)thio]ethanone Formula: C14H17N5OS MolecularWeight: 303.38268

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=N1)SCC(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CCN1C(=NN=N1)SCC(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C14H17N5OS/c1-2-19-14(15-16-17-19)21-10-13(20)18-8-7-11-5-3-4-6-12(11)9-18/h3-6H,2,7-10H2,1H3