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

Systemtic Name: methyl 3-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 3-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate CAS Name: 3-[[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 3-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate Traditional Name: 3-[[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)thio]methyl]furan-2-carboxylic acid methyl ester Formula: C18H19N3O3S MolecularWeight: 357.42676

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=C(OC=C2)C(=O)OC)CC3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC2=C(OC=C2)C(=O)OC)CC3=CC=CC=C3

InChI

InChI=1S/C18H19N3O3S/c1-3-21-15(11-13-7-5-4-6-8-13)19-20-18(21)25-12-14-9-10-24-16(14)17(22)23-2/h4-10H,3,11-12H2,1-2H3