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

Systemtic Name: phenyl 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: phenyl 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]acetic acid phenyl ester IUPAC Name: phenyl 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]acetic acid phenyl ester Formula: C22H17N3O2S MolecularWeight: 387.45428

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)OC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)OC4=CC=CC=C4

InChI

InChI=1S/C22H17N3O2S/c26-20(27-19-14-8-3-9-15-19)16-28-22-24-23-21(17-10-4-1-5-11-17)25(22)18-12-6-2-7-13-18/h1-15H,16H2