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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[(1-cyclopropyl-5-tetrazolyl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[(1-cyclopropyltetrazol-5-yl)thio]acetamide Formula: C13H13N5O3S MolecularWeight: 319.33902

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=N2)SCC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CC1N2C(=NN=N2)SCC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C13H13N5O3S/c19-12(6-22-13-15-16-17-18(13)9-2-3-9)14-8-1-4-10-11(5-8)21-7-20-10/h1,4-5,9H,2-3,6-7H2,(H,14,19)