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

Systemtic Name: 6-[2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]-4-methyl-1,4-benzoxazin-3-one Openeye Name: 6-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-4-methyl-1,4-benzoxazin-3-one CAS Name: 6-[2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-4-methyl-1,4-benzoxazin-3-one IUPAC Name: 6-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-4-methyl-1,4-benzoxazin-3-one Traditional Name: 6-[2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]acetyl]-4-methyl-1,4-benzoxazin-3-one Formula: C13H13N5O3S MolecularWeight: 319.33902

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)COC2=C1C=C(C=C2)C(=O)CSC3=NNC(=N3)N

Isomeric SMILES

CN1C(=O)COC2=C1C=C(C=C2)C(=O)CSC3=NNC(=N3)N

InChI

InChI=1S/C13H13N5O3S/c1-18-8-4-7(2-3-10(8)21-5-11(18)20)9(19)6-22-13-15-12(14)16-17-13/h2-4H,5-6H2,1H3,(H3,14,15,16,17)