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

Systemtic Name: 6-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]acetyl]-4H-1,4-benzoxazin-3-one Formula: C14H14N4O3S MolecularWeight: 318.35096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C)SCC(=O)C2=CC3=C(C=C2)OCC(=O)N3

Isomeric SMILES

CC1=NN=C(N1C)SCC(=O)C2=CC3=C(C=C2)OCC(=O)N3

InChI

InChI=1S/C14H14N4O3S/c1-8-16-17-14(18(8)2)22-7-11(19)9-3-4-12-10(5-9)15-13(20)6-21-12/h3-5H,6-7H2,1-2H3,(H,15,20)