N-(6-cyano-1,3-benzodioxol-5-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamide

Systemtic Name: N-(6-cyano-1,3-benzodioxol-5-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamide Openeye Name: N-(6-cyano-1,3-benzodioxol-5-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide CAS Name: N-(6-cyano-1,3-benzodioxol-5-yl)-2-(1H-1,2,4-triazol-5-ylthio)acetamide IUPAC Name: N-(6-cyano-1,3-benzodioxol-5-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide Traditional Name: N-(6-cyano-1,3-benzodioxol-5-yl)-2-(1H-1,2,4-triazol-5-ylthio)acetamide Formula: C12H9N5O3S MolecularWeight: 303.29656

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C#N)NC(=O)CSC3=NC=NN3

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)C#N)NC(=O)CSC3=NC=NN3

InChI

InChI=1S/C12H9N5O3S/c13-3-7-1-9-10(20-6-19-9)2-8(7)16-11(18)4-21-12-14-5-15-17-12/h1-2,5H,4,6H2,(H,16,18)(H,14,15,17)