methyl 4-[[4-(oxolan-2-ylmethyl)-5-pyrrolidin-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[[4-(oxolan-2-ylmethyl)-5-pyrrolidin-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[5-pyrrolidin-2-yl-4-(tetrahydrofuran-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[4-(2-oxolanylmethyl)-5-(2-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(oxolan-2-ylmethyl)-5-pyrrolidin-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[5-pyrrolidin-2-yl-4-(tetrahydrofurfuryl)-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester Formula: C20H26N4O3S MolecularWeight: 402.51044

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NN=C(N2CC3CCCO3)C4CCCN4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NN=C(N2CC3CCCO3)C4CCCN4

InChI

InChI=1S/C20H26N4O3S/c1-26-19(25)15-8-6-14(7-9-15)13-28-20-23-22-18(17-5-2-10-21-17)24(20)12-16-4-3-11-27-16/h6-9,16-17,21H,2-5,10-13H2,1H3