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

Systemtic Name: methyl 3-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 3-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanylmethyl]furan-2-carboxylate CAS Name: 3-[[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 3-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanylmethyl]furan-2-carboxylate Traditional Name: 3-[[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]methyl]furan-2-carboxylic acid methyl ester Formula: C22H17N3O3S MolecularWeight: 403.45368

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CO1)CSC2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(C=CO1)CSC2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H17N3O3S/c1-27-21(26)20-17(12-13-28-20)14-29-22-23-18(15-8-4-2-5-9-15)19(24-25-22)16-10-6-3-7-11-16/h2-13H,14H2,1H3