2-[[1-(3,4-dimethoxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-1-naphthalen-2-yl-ethanone

Systemtic Name: 2-[[1-(3,4-dimethoxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-1-naphthalen-2-yl-ethanone Openeye Name: 2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-1-(2-naphthyl)ethanone CAS Name: 2-[[1-(3,4-dimethoxyphenyl)-5-tetrazolyl]thio]-1-(2-naphthalenyl)ethanone IUPAC Name: 2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-1-naphthalen-2-ylethanone Traditional Name: 2-[[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]thio]-1-(2-naphthyl)ethanone Formula: C21H18N4O3S MolecularWeight: 406.45762

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=NN=N2)SCC(=O)C3=CC4=CC=CC=C4C=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=NN=N2)SCC(=O)C3=CC4=CC=CC=C4C=C3)OC

InChI

InChI=1S/C21H18N4O3S/c1-27-19-10-9-17(12-20(19)28-2)25-21(22-23-24-25)29-13-18(26)16-8-7-14-5-3-4-6-15(14)11-16/h3-12H,13H2,1-2H3