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

Systemtic Name: ethyl 2-[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanyl]ethanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC(=C(N=N1)C2=CC=C(C=C2)C)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)CSC1=NC(=C(N=N1)C2=CC=C(C=C2)C)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H21N3O2S/c1-4-26-18(25)13-27-21-22-19(16-9-5-14(2)6-10-16)20(23-24-21)17-11-7-15(3)8-12-17/h5-12H,4,13H2,1-3H3