N-(6-chloranyl-1,3-benzodioxol-5-yl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(6-chloranyl-1,3-benzodioxol-5-yl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(6-chloro-1,3-benzodioxol-5-yl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(6-chloro-1,3-benzodioxol-5-yl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(6-chloro-1,3-benzodioxol-5-yl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(6-chloro-1,3-benzodioxol-5-yl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]acetamide Formula: C12H11ClN4O3S MolecularWeight: 326.75874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1)SCC(=O)NC2=CC3=C(C=C2Cl)OCO3

Isomeric SMILES

CC1=NC(=NN1)SCC(=O)NC2=CC3=C(C=C2Cl)OCO3

InChI

InChI=1S/C12H11ClN4O3S/c1-6-14-12(17-16-6)21-4-11(18)15-8-3-10-9(2-7(8)13)19-5-20-10/h2-3H,4-5H2,1H3,(H,15,18)(H,14,16,17)