methyl 4-[[4-(furan-2-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[[4-(furan-2-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[4-(2-furylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[4-(2-furanylmethyl)-5-phenyl-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(furan-2-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[4-(2-furfuryl)-5-phenyl-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NN=C(N2CC3=CC=CO3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NN=C(N2CC3=CC=CO3)C4=CC=CC=C4

InChI

InChI=1S/C22H19N3O3S/c1-27-21(26)18-11-9-16(10-12-18)15-29-22-24-23-20(17-6-3-2-4-7-17)25(22)14-19-8-5-13-28-19/h2-13H,14-15H2,1H3