6-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanoyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[1-oxo-2-(1H-1,2,4-triazol-5-ylthio)ethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-(1H-1,2,4-triazol-5-ylthio)acetyl]-4H-1,4-benzoxazin-3-one Formula: C12H10N4O3S MolecularWeight: 290.2978

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)CSC3=NC=NN3

Isomeric SMILES

C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)CSC3=NC=NN3

InChI

InChI=1S/C12H10N4O3S/c17-9(5-20-12-13-6-14-16-12)7-1-2-10-8(3-7)15-11(18)4-19-10/h1-3,6H,4-5H2,(H,15,18)(H,13,14,16)