4-[5-(4-chlorophenyl)-2-methanoylimino-1,3,4-thiadiazol-3-yl]butanoic acid

Systemtic Name: 4-[5-(4-chlorophenyl)-2-methanoylimino-1,3,4-thiadiazol-3-yl]butanoic acid Openeye Name: 4-[5-(4-chlorophenyl)-2-formylimino-1,3,4-thiadiazol-3-yl]butanoic acid CAS Name: 4-[5-(4-chlorophenyl)-2-formylimino-1,3,4-thiadiazol-3-yl]butanoic acid IUPAC Name: 4-[5-(4-chlorophenyl)-2-formylimino-1,3,4-thiadiazol-3-yl]butanoic acid Traditional Name: 4-[5-(4-chlorophenyl)-2-formylimino-1,3,4-thiadiazol-3-yl]butyric acid Formula: C13H12ClN3O3S MolecularWeight: 325.77068

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NN(C(=NC=O)S2)CCCC(=O)O)Cl

Isomeric SMILES

C1=CC(=CC=C1C2=NN(C(=NC=O)S2)CCCC(=O)O)Cl

InChI

InChI=1S/C13H12ClN3O3S/c14-10-5-3-9(4-6-10)12-16-17(7-1-2-11(19)20)13(21-12)15-8-18/h3-6,8H,1-2,7H2,(H,19,20)