4-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanoic acid

Systemtic Name: 4-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanoic acid Openeye Name: 4-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanoic acid CAS Name: 4-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]butanoic acid IUPAC Name: 4-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanoic acid Traditional Name: 4-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]butyric acid Formula: C18H16ClN3O2S MolecularWeight: 373.85654

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCCCC(=O)O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCCCC(=O)O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H16ClN3O2S/c19-14-10-8-13(9-11-14)17-20-21-18(25-12-4-7-16(23)24)22(17)15-5-2-1-3-6-15/h1-3,5-6,8-11H,4,7,12H2,(H,23,24)