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

Systemtic Name: 6-[2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-4-methyl-1,4-benzoxazin-3-one Openeye Name: 6-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-4-methyl-1,4-benzoxazin-3-one CAS Name: 6-[2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-oxopropyl]-4-methyl-1,4-benzoxazin-3-one IUPAC Name: 6-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-4-methyl-1,4-benzoxazin-3-one Traditional Name: 6-[2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]propanoyl]-4-methyl-1,4-benzoxazin-3-one Formula: C14H15N5O3S MolecularWeight: 333.3656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC2=C(C=C1)OCC(=O)N2C)SC3=NNC(=N3)N

Isomeric SMILES

CC(C(=O)C1=CC2=C(C=C1)OCC(=O)N2C)SC3=NNC(=N3)N

InChI

InChI=1S/C14H15N5O3S/c1-7(23-14-16-13(15)17-18-14)12(21)8-3-4-10-9(5-8)19(2)11(20)6-22-10/h3-5,7H,6H2,1-2H3,(H3,15,16,17,18)