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

Systemtic Name: 6-[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetyl]-4H-1,4-benzoxazin-3-one Formula: C20H18N4O3S MolecularWeight: 394.44692

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C2=CC3=C(C=C2)OCC(=O)N3)C4=CC=CC=C4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C2=CC3=C(C=C2)OCC(=O)N3)C4=CC=CC=C4

InChI

InChI=1S/C20H18N4O3S/c1-2-24-19(13-6-4-3-5-7-13)22-23-20(24)28-12-16(25)14-8-9-17-15(10-14)21-18(26)11-27-17/h3-10H,2,11-12H2,1H3,(H,21,26)