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

Systemtic Name: methyl 3-[[4-phenyl-5-(1-piperidin-1-ylethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Openeye Name: methyl 3-[[4-phenyl-5-[1-(1-piperidyl)ethyl]-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate CAS Name: 3-[[[4-phenyl-5-[1-(1-piperidinyl)ethyl]-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-phenyl-5-(1-piperidin-1-ylethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Traditional Name: 3-[[[4-phenyl-5-(1-piperidinoethyl)-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester Formula: C24H28N4O2S MolecularWeight: 436.56972

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NN=C(N1C2=CC=CC=C2)SCC3=CC=CC(=C3)C(=O)OC)N4CCCCC4

Isomeric SMILES

CC(C1=NN=C(N1C2=CC=CC=C2)SCC3=CC=CC(=C3)C(=O)OC)N4CCCCC4

InChI

InChI=1S/C24H28N4O2S/c1-18(27-14-7-4-8-15-27)22-25-26-24(28(22)21-12-5-3-6-13-21)31-17-19-10-9-11-20(16-19)23(29)30-2/h3,5-6,9-13,16,18H,4,7-8,14-15,17H2,1-2H3