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

Systemtic Name: N-(6-chloranyl-1,3-benzodioxol-5-yl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(6-chloro-1,3-benzodioxol-5-yl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(6-chloro-1,3-benzodioxol-5-yl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(6-chloro-1,3-benzodioxol-5-yl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(6-chloro-1,3-benzodioxol-5-yl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)thio]acetamide Formula: C13H13ClN4O3S MolecularWeight: 340.78532

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=NN1)SCC(=O)NC2=CC3=C(C=C2Cl)OCO3

Isomeric SMILES

CCC1=NC(=NN1)SCC(=O)NC2=CC3=C(C=C2Cl)OCO3

InChI

InChI=1S/C13H13ClN4O3S/c1-2-11-16-13(18-17-11)22-5-12(19)15-8-4-10-9(3-7(8)14)20-6-21-10/h3-4H,2,5-6H2,1H3,(H,15,19)(H,16,17,18)