2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone Formula: C12H12N4O3S MolecularWeight: 292.31368

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(=O)CSC3=NNC(=N3)N

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(=O)CSC3=NNC(=N3)N

InChI

InChI=1S/C12H12N4O3S/c13-11-14-12(16-15-11)20-6-8(17)7-1-2-9-10(5-7)19-4-3-18-9/h1-2,5H,3-4,6H2,(H3,13,14,15,16)