(2,3,6-trimethylphenyl) 2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate

Systemtic Name: (2,3,6-trimethylphenyl) 2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: (2,3,6-trimethylphenyl) 2-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-phenyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetic acid (2,3,6-trimethylphenyl) ester IUPAC Name: (2,3,6-trimethylphenyl) 2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetic acid (2,3,6-trimethylphenyl) ester Formula: C24H22N4O2S MolecularWeight: 430.52208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C)OC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CN=CC=C4)C

Isomeric SMILES

CC1=C(C(=C(C=C1)C)OC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CN=CC=C4)C

InChI

InChI=1S/C24H22N4O2S/c1-16-11-12-17(2)22(18(16)3)30-21(29)15-31-24-27-26-23(19-8-7-13-25-14-19)28(24)20-9-5-4-6-10-20/h4-14H,15H2,1-3H3