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

Systemtic Name: (phenylmethyl) 2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: benzyl 2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[(1-phenyl-1,2,4-triazol-3-yl)thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(1-phenyl-1,2,4-triazol-3-yl)thio]acetic acid benzyl ester Formula: C17H15N3O2S MolecularWeight: 325.3849

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CSC2=NN(C=N2)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CSC2=NN(C=N2)C3=CC=CC=C3

InChI

InChI=1S/C17H15N3O2S/c21-16(22-11-14-7-3-1-4-8-14)12-23-17-18-13-20(19-17)15-9-5-2-6-10-15/h1-10,13H,11-12H2