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

Systemtic Name: methyl 2-[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[5,6-bis(p-tolyl)-1,2,4-triazin-3-yl]sulfanyl]acetate CAS Name: 2-[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanyl]acetate Traditional Name: 2-[[5,6-bis(p-tolyl)-1,2,4-triazin-3-yl]thio]acetic acid methyl ester Formula: C20H19N3O2S MolecularWeight: 365.44876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O2S/c1-13-4-8-15(9-5-13)18-19(16-10-6-14(2)7-11-16)22-23-20(21-18)26-12-17(24)25-3/h4-11H,12H2,1-3H3