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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CSC2=NN=NN2C3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CSC2=NN=NN2C3=CC=CC=C3)OC

InChI

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