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

Systemtic Name: methyl 4-[[4-phenyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[4-phenyl-5-(1-piperidylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[4-phenyl-5-(1-piperidinylmethyl)-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-phenyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[4-phenyl-5-(piperidinomethyl)-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester Formula: C23H26N4O2S MolecularWeight: 422.54314

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)CN4CCCCC4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)CN4CCCCC4

InChI

InChI=1S/C23H26N4O2S/c1-29-22(28)19-12-10-18(11-13-19)17-30-23-25-24-21(16-26-14-6-3-7-15-26)27(23)20-8-4-2-5-9-20/h2,4-5,8-13H,3,6-7,14-17H2,1H3