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

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-2-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanone Openeye Name: 1-(1,3-benzodioxol-5-yl)-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-ethanone CAS Name: 1-(1,3-benzodioxol-5-yl)-2-[(1-cyclopropyl-5-tetrazolyl)thio]ethanone IUPAC Name: 1-(1,3-benzodioxol-5-yl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylethanone Traditional Name: 1-(1,3-benzodioxol-5-yl)-2-[(1-cyclopropyltetrazol-5-yl)thio]ethanone Formula: C13H12N4O3S MolecularWeight: 304.32438

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=N2)SCC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CC1N2C(=NN=N2)SCC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C13H12N4O3S/c18-10(8-1-4-11-12(5-8)20-7-19-11)6-21-13-14-15-16-17(13)9-2-3-9/h1,4-5,9H,2-3,6-7H2