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

Systemtic Name: (2R)-2-[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-3-phenyl-propanoate Openeye Name: (2R)-2-[[2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-phenyl-propanoate CAS Name: (2R)-2-[[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-3-phenylpropanoate IUPAC Name: (2R)-2-[[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-3-phenylpropanoate Traditional Name: (2R)-2-[[2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]-3-phenyl-propionate Formula: C19H18N5O3S- MolecularWeight: 396.44292

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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)N[C@H](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)/p-1/t15-/m1/s1