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

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(1,3-benzodioxol-5-yl)ethanone Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(1,3-benzodioxol-5-yl)ethanone CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-(1,3-benzodioxol-5-yl)ethanone IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(1,3-benzodioxol-5-yl)ethanone Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-(1,3-benzodioxol-5-yl)ethanone Formula: C11H10N4O3S MolecularWeight: 278.2871

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10N4O3S/c12-10-13-11(15-14-10)19-4-7(16)6-1-2-8-9(3-6)18-5-17-8/h1-3H,4-5H2,(H3,12,13,14,15)