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

Systemtic Name: 2-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Openeye Name: 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone CAS Name: 2-[(1-cyclopropyl-5-tetrazolyl)thio]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone IUPAC Name: 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Traditional Name: 2-[(1-cyclopropyltetrazol-5-yl)thio]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Formula: C15H17N5OS MolecularWeight: 315.39338

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=N2)SCC(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

C1CC1N2C(=NN=N2)SCC(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C15H17N5OS/c21-14(10-22-15-16-17-18-20(15)13-5-6-13)19-8-7-11-3-1-2-4-12(11)9-19/h1-4,13H,5-10H2