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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(OC=C1)CSC2=NN=C(N2C3=CC=CC=C3Cl)N4CCCC4

Isomeric SMILES

COC(=O)C1=C(OC=C1)CSC2=NN=C(N2C3=CC=CC=C3Cl)N4CCCC4

InChI

InChI=1S/C19H19ClN4O3S/c1-26-17(25)13-8-11-27-16(13)12-28-19-22-21-18(23-9-4-5-10-23)24(19)15-7-3-2-6-14(15)20/h2-3,6-8,11H,4-5,9-10,12H2,1H3