6-[2-[(5-oxidanylidene-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[2-[(5-oxidanylidene-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[1-oxo-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)thio]ethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[(5-keto-4-propyl-1H-1,2,4-triazol-3-yl)thio]acetyl]-4H-1,4-benzoxazin-3-one Formula: C15H16N4O4S MolecularWeight: 348.37694

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC(=O)C2=CC3=C(C=C2)OCC(=O)N3

Isomeric SMILES

CCCN1C(=O)NN=C1SCC(=O)C2=CC3=C(C=C2)OCC(=O)N3

InChI

InChI=1S/C15H16N4O4S/c1-2-5-19-14(22)17-18-15(19)24-8-11(20)9-3-4-12-10(6-9)16-13(21)7-23-12/h3-4,6H,2,5,7-8H2,1H3,(H,16,21)(H,17,22)