2-[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]-3-phenyl-propionic acid Formula: C19H19N5O3S MolecularWeight: 397.45086

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC(CC2=CC=CC=C2)C(=O)O)C3=CC=NC=C3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC(CC2=CC=CC=C2)C(=O)O)C3=CC=NC=C3

InChI

InChI=1S/C19H19N5O3S/c1-24-17(14-7-9-20-10-8-14)22-23-19(24)28-12-16(25)21-15(18(26)27)11-13-5-3-2-4-6-13/h2-10,15H,11-12H2,1H3,(H,21,25)(H,26,27)