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

Systemtic Name: methyl 5-[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanylmethyl]-2-methyl-furan-3-carboxylate Openeye Name: methyl 5-[[5,6-bis(p-tolyl)-1,2,4-triazin-3-yl]sulfanylmethyl]-2-methyl-furan-3-carboxylate CAS Name: 5-[[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]thio]methyl]-2-methyl-3-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanylmethyl]-2-methylfuran-3-carboxylate Traditional Name: 5-[[[5,6-bis(p-tolyl)-1,2,4-triazin-3-yl]thio]methyl]-2-methyl-furan-3-carboxylic acid methyl ester Formula: C25H23N3O3S MolecularWeight: 445.53342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N=NC(=N2)SCC3=CC(=C(O3)C)C(=O)OC)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N=NC(=N2)SCC3=CC(=C(O3)C)C(=O)OC)C4=CC=C(C=C4)C

InChI

InChI=1S/C25H23N3O3S/c1-15-5-9-18(10-6-15)22-23(19-11-7-16(2)8-12-19)27-28-25(26-22)32-14-20-13-21(17(3)31-20)24(29)30-4/h5-13H,14H2,1-4H3