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

Systemtic Name: (phenylmethyl) 2-[(4-azanyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: benzyl 2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)thio]acetic acid benzyl ester Formula: C17H16N4O2S MolecularWeight: 340.39954

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CSC2=NN=C(N2N)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CSC2=NN=C(N2N)C3=CC=CC=C3

InChI

InChI=1S/C17H16N4O2S/c18-21-16(14-9-5-2-6-10-14)19-20-17(21)24-12-15(22)23-11-13-7-3-1-4-8-13/h1-10H,11-12,18H2