5-[[(4-azanyl-1,2,4-triazol-3-yl)hydrazinylidene]methyl]-7-methoxy-1,3-benzoxathiol-2-one

Systemtic Name: 5-[[(4-azanyl-1,2,4-triazol-3-yl)hydrazinylidene]methyl]-7-methoxy-1,3-benzoxathiol-2-one Openeye Name: 5-[[(4-amino-1,2,4-triazol-3-yl)hydrazono]methyl]-7-methoxy-1,3-benzoxathiol-2-one CAS Name: 5-[[(4-amino-1,2,4-triazol-3-yl)hydrazinylidene]methyl]-7-methoxy-1,3-benzoxathiol-2-one IUPAC Name: 5-[[(4-amino-1,2,4-triazol-3-yl)hydrazinylidene]methyl]-7-methoxy-1,3-benzoxathiol-2-one Traditional Name: 5-[[(4-amino-1,2,4-triazol-3-yl)hydrazono]methyl]-7-methoxy-1,3-benzoxathiol-2-one Formula: C11H10N6O3S MolecularWeight: 306.3005

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC(=C1)C=NNC3=NN=CN3N)SC(=O)O2

Isomeric SMILES

COC1=C2C(=CC(=C1)C=NNC3=NN=CN3N)SC(=O)O2

InChI

InChI=1S/C11H10N6O3S/c1-19-7-2-6(3-8-9(7)20-11(18)21-8)4-13-15-10-16-14-5-17(10)12/h2-5H,12H2,1H3,(H,15,16)