1-(1,3-benzodioxol-5-yl)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(1,3-benzodioxol-5-yl)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(1,3-benzodioxol-5-yl)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(1,3-benzodioxol-5-yl)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(1,3-benzodioxol-5-yl)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]ethanone Formula: C13H13N3O3S MolecularWeight: 291.32562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C)SCC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=NN=C(N1C)SCC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C13H13N3O3S/c1-8-14-15-13(16(8)2)20-6-10(17)9-3-4-11-12(5-9)19-7-18-11/h3-5H,6-7H2,1-2H3