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

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[1-(3,4-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanone Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-ethanone CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[1-(3,4-dimethylphenyl)-5-tetrazolyl]thio]ethanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylethanone Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]thio]ethanone Formula: C20H21N5OS MolecularWeight: 379.47864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=NN=N2)SCC(=O)N3CCC4=CC=CC=C4C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NN=N2)SCC(=O)N3CCC4=CC=CC=C4C3)C

InChI

InChI=1S/C20H21N5OS/c1-14-7-8-18(11-15(14)2)25-20(21-22-23-25)27-13-19(26)24-10-9-16-5-3-4-6-17(16)12-24/h3-8,11H,9-10,12-13H2,1-2H3