(phenylmethyl) 2-azanyl-2-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)ethanoate

Systemtic Name: (phenylmethyl) 2-azanyl-2-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)ethanoate Openeye Name: benzyl 2-amino-2-(5-thioxo-1,2-dihydro-1,2,4-triazol-3-yl)acetate CAS Name: 2-amino-2-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-amino-2-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)acetate Traditional Name: 2-amino-2-(5-thioxo-1,2-dihydro-1,2,4-triazol-3-yl)acetic acid benzyl ester Formula: C11H12N4O2S MolecularWeight: 264.30358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(C2=NC(=S)NN2)N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C(C2=NC(=S)NN2)N

InChI

InChI=1S/C11H12N4O2S/c12-8(9-13-11(18)15-14-9)10(16)17-6-7-4-2-1-3-5-7/h1-5,8H,6,12H2,(H2,13,14,15,18)