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

Systemtic Name: methyl 2-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]furan-3-carboxylate Openeye Name: methyl 2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-3-carboxylate CAS Name: 2-[[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-3-furancarboxylic acid methyl ester IUPAC Name: methyl 2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-3-carboxylate Traditional Name: 2-[[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)thio]methyl]furan-3-carboxylic acid methyl ester Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(OC=C1)CSC2=NN=C(N2C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(OC=C1)CSC2=NN=C(N2C3=CC=CC=C3)CC4=CC=CC=C4

InChI

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