(E)-2-[azanyl-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-oxidanyl-methyl]-3-oxidanyl-prop-2-enenitrile

Systemtic Name: (E)-2-[azanyl-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-oxidanyl-methyl]-3-oxidanyl-prop-2-enenitrile Openeye Name: (E)-2-[amino-hydroxy-(4-methyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]-3-hydroxy-prop-2-enenitrile CAS Name: (E)-2-[amino-hydroxy-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-3-hydroxy-2-propenenitrile IUPAC Name: (E)-2-[amino-hydroxy-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-3-hydroxyprop-2-enenitrile Traditional Name: (E)-2-[amino-hydroxy-(4-methyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]-3-hydroxy-acrylonitrile Formula: C7H9N5O2S MolecularWeight: 227.24366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NNC1=S)C(C(=CO)C#N)(N)O

Isomeric SMILES

CN1C(=NNC1=S)C(/C(=C/O)/C#N)(N)O

InChI

InChI=1S/C7H9N5O2S/c1-12-5(10-11-6(12)15)7(9,14)4(2-8)3-13/h3,13-14H,9H2,1H3,(H,11,15)/b4-3+