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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC=C(C=C2)C(=N)N)C3=NN=C(S3)CCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=CC=C(C=C2)C(=N)N)C3=NN=C(S3)CCC(=O)O

InChI

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