3-[4-[5-(4-carbamimidoylphenyl)-1,3,4-thiadiazol-2-yl]phenyl]propanoic acid

Systemtic Name: 3-[4-[5-(4-carbamimidoylphenyl)-1,3,4-thiadiazol-2-yl]phenyl]propanoic acid Openeye Name: 3-[4-[5-(4-carbamimidoylphenyl)-1,3,4-thiadiazol-2-yl]phenyl]propanoic acid CAS Name: 3-[4-[5-(4-carbamimidoylphenyl)-1,3,4-thiadiazol-2-yl]phenyl]propanoic acid IUPAC Name: 3-[4-[5-(4-carbamimidoylphenyl)-1,3,4-thiadiazol-2-yl]phenyl]propanoic acid Traditional Name: 3-[4-[5-(4-amidinophenyl)-1,3,4-thiadiazol-2-yl]phenyl]propionic acid Formula: C18H16N4O2S MolecularWeight: 352.41024

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(=O)O)C2=NN=C(S2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1=CC(=CC=C1CCC(=O)O)C2=NN=C(S2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C18H16N4O2S/c19-16(20)12-6-8-14(9-7-12)18-22-21-17(25-18)13-4-1-11(2-5-13)3-10-15(23)24/h1-2,4-9H,3,10H2,(H3,19,20)(H,23,24)