methyl 2-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: methyl 2-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-phenyl-5-(1-pyrrolidinylmethyl)-1,2,4-triazol-3-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-phenyl-5-(pyrrolidinomethyl)-1,2,4-triazol-3-yl]thio]acetic acid methyl ester Formula: C16H20N4O2S MolecularWeight: 332.4206

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NN=C(N1C2=CC=CC=C2)CN3CCCC3

Isomeric SMILES

COC(=O)CSC1=NN=C(N1C2=CC=CC=C2)CN3CCCC3

InChI

InChI=1S/C16H20N4O2S/c1-22-15(21)12-23-16-18-17-14(11-19-9-5-6-10-19)20(16)13-7-3-2-4-8-13/h2-4,7-8H,5-6,9-12H2,1H3