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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC2=C(C=C1)OCC(=O)N2)SC3=NNC(=N3)N

Isomeric SMILES

CC(C(=O)C1=CC2=C(C=C1)OCC(=O)N2)SC3=NNC(=N3)N

InChI

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