3-[5-[(3-fluorophenyl)methylsulfanyl]-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide

Systemtic Name: 3-[5-[(3-fluorophenyl)methylsulfanyl]-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide Openeye Name: 3-[5-[(3-fluorophenyl)methylsulfanyl]-4-(tetrahydrofuran-2-ylmethyl)-1,2,4-triazol-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide CAS Name: 3-[5-[(3-fluorophenyl)methylthio]-4-(2-oxolanylmethyl)-1,2,4-triazol-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide IUPAC Name: 3-[5-[(3-fluorophenyl)methylsulfanyl]-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide Traditional Name: 3-[5-[(3-fluorobenzyl)thio]-4-(tetrahydrofurfuryl)-1,2,4-triazol-3-yl]-N-o-anisyl-propionamide Formula: C25H29FN4O3S MolecularWeight: 484.586163

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CNC(=O)CCC2=NN=C(N2CC3CCCO3)SCC4=CC(=CC=C4)F

Isomeric SMILES

COC1=CC=CC=C1CNC(=O)CCC2=NN=C(N2CC3CCCO3)SCC4=CC(=CC=C4)F

InChI

InChI=1S/C25H29FN4O3S/c1-32-22-10-3-2-7-19(22)15-27-24(31)12-11-23-28-29-25(30(23)16-21-9-5-13-33-21)34-17-18-6-4-8-20(26)14-18/h2-4,6-8,10,14,21H,5,9,11-13,15-17H2,1H3,(H,27,31)