(4-pyrrolidin-1-ylcarbonylphenyl)methyl 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate

Systemtic Name: (4-pyrrolidin-1-ylcarbonylphenyl)methyl 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]acetic acid [4-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl ester IUPAC Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetic acid [4-(pyrrolidine-1-carbonyl)benzyl] ester Formula: C22H24N4O3S2 MolecularWeight: 456.58096

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)OCC2=CC=C(C=C2)C(=O)N3CCCC3)C4=CC=CS4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)OCC2=CC=C(C=C2)C(=O)N3CCCC3)C4=CC=CS4

InChI

InChI=1S/C22H24N4O3S2/c1-2-26-20(18-6-5-13-30-18)23-24-22(26)31-15-19(27)29-14-16-7-9-17(10-8-16)21(28)25-11-3-4-12-25/h5-10,13H,2-4,11-12,14-15H2,1H3