methyl 4-[[2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]methyl]benzoate Openeye Name: methyl 4-[[2-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]methyl]benzoate CAS Name: 4-[[[1-oxo-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]propyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]methyl]benzoate Traditional Name: 4-[[2-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]propanoylamino]methyl]benzoic acid methyl ester Formula: C22H25N5O3S MolecularWeight: 439.5306

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SC(C)C(=O)NCC2=CC=C(C=C2)C(=O)OC)C3=CC=NC=C3

Isomeric SMILES

CCCN1C(=NN=C1SC(C)C(=O)NCC2=CC=C(C=C2)C(=O)OC)C3=CC=NC=C3

InChI

InChI=1S/C22H25N5O3S/c1-4-13-27-19(17-9-11-23-12-10-17)25-26-22(27)31-15(2)20(28)24-14-16-5-7-18(8-6-16)21(29)30-3/h5-12,15H,4,13-14H2,1-3H3,(H,24,28)