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

Systemtic Name: methyl 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]ethanoate Openeye Name: methyl 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetate CAS Name: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]acetic acid methyl ester IUPAC Name: methyl 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetate Traditional Name: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]acetic acid methyl ester Formula: C18H15N3O2S MolecularWeight: 337.3956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O2S/c1-23-15(22)12-24-18-19-16(13-8-4-2-5-9-13)17(20-21-18)14-10-6-3-7-11-14/h2-11H,12H2,1H3