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

Systemtic Name: 2-[(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-1-(3,4-dimethoxyphenyl)ethanone Openeye Name: 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-(3,4-dimethoxyphenyl)ethanone CAS Name: 2-[(1-cyclohexyl-5-tetrazolyl)thio]-1-(3,4-dimethoxyphenyl)ethanone IUPAC Name: 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-(3,4-dimethoxyphenyl)ethanone Traditional Name: 2-[(1-cyclohexyltetrazol-5-yl)thio]-1-(3,4-dimethoxyphenyl)ethanone Formula: C17H22N4O3S MolecularWeight: 362.44658

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CSC2=NN=NN2C3CCCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CSC2=NN=NN2C3CCCCC3)OC

InChI

InChI=1S/C17H22N4O3S/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/h8-10,13H,3-7,11H2,1-2H3