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

Systemtic Name: 4-[3-[(5-benzamido-1,3-thiazol-2-yl)sulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]benzoic acid Openeye Name: 4-[3-(5-benzamidothiazol-2-yl)sulfanyl-5-(2-thienyl)-1,2,4-triazol-4-yl]benzoic acid CAS Name: 4-[3-[(5-benzamido-2-thiazolyl)thio]-5-thiophen-2-yl-1,2,4-triazol-4-yl]benzoic acid IUPAC Name: 4-[3-[(5-benzamido-1,3-thiazol-2-yl)sulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]benzoic acid Traditional Name: 4-[3-[(5-benzamidothiazol-2-yl)thio]-5-(2-thienyl)-1,2,4-triazol-4-yl]benzoic acid Formula: C23H15N5O3S3 MolecularWeight: 505.5919

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC2=CN=C(S2)SC3=NN=C(N3C4=CC=C(C=C4)C(=O)O)C5=CC=CS5

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2=CN=C(S2)SC3=NN=C(N3C4=CC=C(C=C4)C(=O)O)C5=CC=CS5

InChI

InChI=1S/C23H15N5O3S3/c29-20(14-5-2-1-3-6-14)25-18-13-24-23(33-18)34-22-27-26-19(17-7-4-12-32-17)28(22)16-10-8-15(9-11-16)21(30)31/h1-13H,(H,25,29)(H,30,31)