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

Systemtic Name: methyl 4-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanylmethyl]benzoate Openeye Name: methyl 4-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]methyl]benzoic acid methyl ester Formula: C24H19N3O2S MolecularWeight: 413.49156

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H19N3O2S/c1-29-23(28)20-14-12-17(13-15-20)16-30-24-25-21(18-8-4-2-5-9-18)22(26-27-24)19-10-6-3-7-11-19/h2-15H,16H2,1H3