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

Systemtic Name: 4-[[5-(2-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanoic acid Openeye Name: 4-[[5-(2-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanoic acid CAS Name: 4-[[5-(2-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]butanoic acid IUPAC Name: 4-[[5-(2-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanoic acid Traditional Name: 4-[[5-(2-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=CC=C3Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCCCC(=O)O)C3=CC=CC=C3Cl

InChI

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