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

Systemtic Name: (phenylmethyl) 2-[[5-(3-hydroxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: benzyl 2-[[5-(3-hydroxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(3-hydroxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[5-(3-hydroxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(3-hydroxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid benzyl ester Formula: C23H19N3O3S MolecularWeight: 417.48026

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC(=CC=C4)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC(=CC=C4)O

InChI

InChI=1S/C23H19N3O3S/c27-20-13-7-10-18(14-20)22-24-25-23(26(22)19-11-5-2-6-12-19)30-16-21(28)29-15-17-8-3-1-4-9-17/h1-14,27H,15-16H2