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

Systemtic Name: methyl 5-[[4-(3-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-(3-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[[4-(3-chlorophenyl)-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(3-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[[4-(3-chlorophenyl)-5-pyrrolidino-1,2,4-triazol-3-yl]thio]methyl]furan-2-carboxylic acid methyl ester Formula: C19H19ClN4O3S MolecularWeight: 418.89716

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CSC2=NN=C(N2C3=CC(=CC=C3)Cl)N4CCCC4

Isomeric SMILES

COC(=O)C1=CC=C(O1)CSC2=NN=C(N2C3=CC(=CC=C3)Cl)N4CCCC4

InChI

InChI=1S/C19H19ClN4O3S/c1-26-17(25)16-8-7-15(27-16)12-28-19-22-21-18(23-9-2-3-10-23)24(19)14-6-4-5-13(20)11-14/h4-8,11H,2-3,9-10,12H2,1H3