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

Systemtic Name: 6-[2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]acetyl]-4H-1,4-benzoxazin-3-one Formula: C17H18N4O3S MolecularWeight: 358.41482

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C2=CC3=C(C=C2)OCC(=O)N3)C4CC4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C2=CC3=C(C=C2)OCC(=O)N3)C4CC4

InChI

InChI=1S/C17H18N4O3S/c1-2-21-16(10-3-4-10)19-20-17(21)25-9-13(22)11-5-6-14-12(7-11)18-15(23)8-24-14/h5-7,10H,2-4,8-9H2,1H3,(H,18,23)