methyl 8-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]octanoate

Systemtic Name: methyl 8-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]octanoate Openeye Name: methyl 8-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]octanoate CAS Name: 8-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]octanoic acid methyl ester IUPAC Name: methyl 8-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]octanoate Traditional Name: 8-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]caprylic acid methyl ester Formula: C24H27N3O2S MolecularWeight: 421.55508

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCCCSC1=NC(=C(N=N1)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)CCCCCCCSC1=NC(=C(N=N1)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C24H27N3O2S/c1-29-21(28)17-11-3-2-4-12-18-30-24-25-22(19-13-7-5-8-14-19)23(26-27-24)20-15-9-6-10-16-20/h5-10,13-16H,2-4,11-12,17-18H2,1H3