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

Systemtic Name: 6-[2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[1-oxo-2-[(4-pentyl-1,2,4-triazol-3-yl)thio]ethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[(4-amyl-1,2,4-triazol-3-yl)thio]acetyl]-4H-1,4-benzoxazin-3-one Formula: C17H20N4O3S MolecularWeight: 360.4307

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C=NN=C1SCC(=O)C2=CC3=C(C=C2)OCC(=O)N3

Isomeric SMILES

CCCCCN1C=NN=C1SCC(=O)C2=CC3=C(C=C2)OCC(=O)N3

InChI

InChI=1S/C17H20N4O3S/c1-2-3-4-7-21-11-18-20-17(21)25-10-14(22)12-5-6-15-13(8-12)19-16(23)9-24-15/h5-6,8,11H,2-4,7,9-10H2,1H3,(H,19,23)