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

Systemtic Name: 2-[[1-(3,4-dimethoxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-1-phenyl-ethanone CAS Name: 2-[[1-(3,4-dimethoxyphenyl)-5-tetrazolyl]thio]-1-phenylethanone IUPAC Name: 2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-1-phenylethanone Traditional Name: 2-[[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]thio]-1-phenyl-ethanone Formula: C17H16N4O3S MolecularWeight: 356.39894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N4O3S/c1-23-15-9-8-13(10-16(15)24-2)21-17(18-19-20-21)25-11-14(22)12-6-4-3-5-7-12/h3-10H,11H2,1-2H3