2-chloranyl-5-[2-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoylamino]benzoic acid

Systemtic Name: 2-chloranyl-5-[2-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoylamino]benzoic acid Openeye Name: 2-chloro-5-[[2-[[5-(3-pyridyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzoic acid CAS Name: 2-chloro-5-[[1-oxo-2-[[5-(3-pyridinyl)-1,3,4-thiadiazol-2-yl]thio]ethyl]amino]benzoic acid IUPAC Name: 2-chloro-5-[[2-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]benzoic acid Traditional Name: 2-chloro-5-[[2-[[5-(3-pyridyl)-1,3,4-thiadiazol-2-yl]thio]acetyl]amino]benzoic acid Formula: C16H11ClN4O3S2 MolecularWeight: 406.86654

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C2=NN=C(S2)SCC(=O)NC3=CC(=C(C=C3)Cl)C(=O)O

Isomeric SMILES

C1=CC(=CN=C1)C2=NN=C(S2)SCC(=O)NC3=CC(=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C16H11ClN4O3S2/c17-12-4-3-10(6-11(12)15(23)24)19-13(22)8-25-16-21-20-14(26-16)9-2-1-5-18-7-9/h1-7H,8H2,(H,19,22)(H,23,24)