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

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-benzodioxol-5-yl)ethanamide Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-benzodioxol-5-yl)acetamide CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-(1,3-benzodioxol-5-yl)acetamide IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-benzodioxol-5-yl)acetamide Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-(1,3-benzodioxol-5-yl)acetamide Formula: C11H11N5O3S MolecularWeight: 293.30174

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NNC(=N3)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NNC(=N3)N

InChI

InChI=1S/C11H11N5O3S/c12-10-14-11(16-15-10)20-4-9(17)13-6-1-2-7-8(3-6)19-5-18-7/h1-3H,4-5H2,(H,13,17)(H3,12,14,15,16)