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

Systemtic Name: 6-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]acetyl]-4H-1,4-benzoxazin-3-one Formula: C13H12N4O3S MolecularWeight: 304.32438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1)SCC(=O)C2=CC3=C(C=C2)OCC(=O)N3

Isomeric SMILES

CC1=NC(=NN1)SCC(=O)C2=CC3=C(C=C2)OCC(=O)N3

InChI

InChI=1S/C13H12N4O3S/c1-7-14-13(17-16-7)21-6-10(18)8-2-3-11-9(4-8)15-12(19)5-20-11/h2-4H,5-6H2,1H3,(H,15,19)(H,14,16,17)