2-azanyl-3-[3-[(4-azanyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]propanoic acid

Systemtic Name: 2-azanyl-3-[3-[(4-azanyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]propanoic acid Openeye Name: 2-amino-3-[3-[[4-amino-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]propanoic acid CAS Name: 2-amino-3-[3-[[(4-amino-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]methyl]phenyl]propanoic acid IUPAC Name: 2-amino-3-[3-[(4-amino-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]propanoic acid Traditional Name: 2-amino-3-[3-[[[4-amino-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]phenyl]propionic acid Formula: C17H18N6O2S MolecularWeight: 370.42882

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CSC2=NN=C(N2N)C3=CC=NC=C3)CC(C(=O)O)N

Isomeric SMILES

C1=CC(=CC(=C1)CSC2=NN=C(N2N)C3=CC=NC=C3)CC(C(=O)O)N

InChI

InChI=1S/C17H18N6O2S/c18-14(16(24)25)9-11-2-1-3-12(8-11)10-26-17-22-21-15(23(17)19)13-4-6-20-7-5-13/h1-8,14H,9-10,18-19H2,(H,24,25)