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

Systemtic Name: methyl 5-[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 5-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)thio]methyl]furan-2-carboxylic acid methyl ester Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=C(O2)C(=O)OC)CC3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=C(O2)C(=O)OC)CC3=CC=CC=C3

InChI

InChI=1S/C17H17N3O3S/c1-20-15(10-12-6-4-3-5-7-12)18-19-17(20)24-11-13-8-9-14(23-13)16(21)22-2/h3-9H,10-11H2,1-2H3