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

Systemtic Name: 6-[2-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]-1-oxopropyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[(4-butyl-5-keto-1H-1,2,4-triazol-3-yl)thio]propanoyl]-4H-1,4-benzoxazin-3-one Formula: C17H20N4O4S MolecularWeight: 376.4301

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SC(C)C(=O)C2=CC3=C(C=C2)OCC(=O)N3

Isomeric SMILES

CCCCN1C(=O)NN=C1SC(C)C(=O)C2=CC3=C(C=C2)OCC(=O)N3

InChI

InChI=1S/C17H20N4O4S/c1-3-4-7-21-16(24)19-20-17(21)26-10(2)15(23)11-5-6-13-12(8-11)18-14(22)9-25-13/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,18,22)(H,19,24)