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

Systemtic Name: 6-[2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]acetyl]-4H-1,4-benzoxazin-3-one Formula: C12H11N5O3S MolecularWeight: 305.31244

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)CSC3=NNC(=N3)N

Isomeric SMILES

C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)CSC3=NNC(=N3)N

InChI

InChI=1S/C12H11N5O3S/c13-11-15-12(17-16-11)21-5-8(18)6-1-2-9-7(3-6)14-10(19)4-20-9/h1-3H,4-5H2,(H,14,19)(H3,13,15,16,17)