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

Systemtic Name: 4-[3-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]benzoic acid Openeye Name: 4-[3-(4-phenylthiazol-2-yl)sulfanyl-5-(2-thienyl)-1,2,4-triazol-4-yl]benzoic acid CAS Name: 4-[3-[(4-phenyl-2-thiazolyl)thio]-5-thiophen-2-yl-1,2,4-triazol-4-yl]benzoic acid IUPAC Name: 4-[3-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]benzoic acid Traditional Name: 4-[3-[(4-phenylthiazol-2-yl)thio]-5-(2-thienyl)-1,2,4-triazol-4-yl]benzoic acid Formula: C22H14N4O2S3 MolecularWeight: 462.56716

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC(=N2)SC3=NN=C(N3C4=CC=C(C=C4)C(=O)O)C5=CC=CS5

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC(=N2)SC3=NN=C(N3C4=CC=C(C=C4)C(=O)O)C5=CC=CS5

InChI

InChI=1S/C22H14N4O2S3/c27-20(28)15-8-10-16(11-9-15)26-19(18-7-4-12-29-18)24-25-21(26)31-22-23-17(13-30-22)14-5-2-1-3-6-14/h1-13H,(H,27,28)