(phenylmethyl) 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoate

Systemtic Name: (phenylmethyl) 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: benzyl 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]acetic acid benzyl ester Formula: C11H12N4O2S MolecularWeight: 264.30358

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CSC2=NNC(=N2)N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CSC2=NNC(=N2)N

InChI

InChI=1S/C11H12N4O2S/c12-10-13-11(15-14-10)18-7-9(16)17-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H3,12,13,14,15)