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

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-2-[(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanone Openeye Name: 1-(1,3-benzodioxol-5-yl)-2-(1-cyclohexyltetrazol-5-yl)sulfanyl-ethanone CAS Name: 1-(1,3-benzodioxol-5-yl)-2-[(1-cyclohexyl-5-tetrazolyl)thio]ethanone IUPAC Name: 1-(1,3-benzodioxol-5-yl)-2-(1-cyclohexyltetrazol-5-yl)sulfanylethanone Traditional Name: 1-(1,3-benzodioxol-5-yl)-2-[(1-cyclohexyltetrazol-5-yl)thio]ethanone Formula: C16H18N4O3S MolecularWeight: 346.40412

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=N2)SCC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCC(CC1)N2C(=NN=N2)SCC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C16H18N4O3S/c21-13(11-6-7-14-15(8-11)23-10-22-14)9-24-16-17-18-19-20(16)12-4-2-1-3-5-12/h6-8,12H,1-5,9-10H2