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

Systemtic Name: 6-[2-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[(4-butyl-5-keto-1H-1,2,4-triazol-3-yl)thio]acetyl]-4H-1,4-benzoxazin-3-one Formula: C16H18N4O4S MolecularWeight: 362.40352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC(=O)C2=CC3=C(C=C2)OCC(=O)N3

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC(=O)C2=CC3=C(C=C2)OCC(=O)N3

InChI

InChI=1S/C16H18N4O4S/c1-2-3-6-20-15(23)18-19-16(20)25-9-12(21)10-4-5-13-11(7-10)17-14(22)8-24-13/h4-5,7H,2-3,6,8-9H2,1H3,(H,17,22)(H,18,23)