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

Systemtic Name: 4-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]butanoic acid Openeye Name: 4-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]butanoic acid CAS Name: 4-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]butanoic acid IUPAC Name: 4-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]butanoic acid Traditional Name: 4-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]butyric acid Formula: C16H15N3O2S2 MolecularWeight: 345.4392

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCCCC(=O)O)C3=CC=CS3

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCCCC(=O)O)C3=CC=CS3

InChI

InChI=1S/C16H15N3O2S2/c20-14(21)9-5-11-23-16-18-17-15(13-8-4-10-22-13)19(16)12-6-2-1-3-7-12/h1-4,6-8,10H,5,9,11H2,(H,20,21)