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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SC(C)C(=O)C2=CC3=C(C=C2)OCC(=O)N3

Isomeric SMILES

CCCN1C(=O)NN=C1S[C@H](C)C(=O)C2=CC3=C(C=C2)OCC(=O)N3

InChI

InChI=1S/C16H18N4O4S/c1-3-6-20-15(23)18-19-16(20)25-9(2)14(22)10-4-5-12-11(7-10)17-13(21)8-24-12/h4-5,7,9H,3,6,8H2,1-2H3,(H,17,21)(H,18,23)/t9-/m1/s1