methyl 4-[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[5,6-bis(p-tolyl)-1,2,4-triazin-3-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[5,6-bis(p-tolyl)-1,2,4-triazin-3-yl]thio]methyl]benzoic acid methyl ester Formula: C26H23N3O2S MolecularWeight: 441.54472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N=NC(=N2)SCC3=CC=C(C=C3)C(=O)OC)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N=NC(=N2)SCC3=CC=C(C=C3)C(=O)OC)C4=CC=C(C=C4)C

InChI

InChI=1S/C26H23N3O2S/c1-17-4-10-20(11-5-17)23-24(21-12-6-18(2)7-13-21)28-29-26(27-23)32-16-19-8-14-22(15-9-19)25(30)31-3/h4-15H,16H2,1-3H3