2-[[5-(1H-benzimidazol-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]carbamoyl]benzoic acid

Systemtic Name: 2-[[5-(1H-benzimidazol-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]carbamoyl]benzoic acid Openeye Name: 2-[[5-(1H-benzimidazol-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]carbamoyl]benzoic acid CAS Name: 2-[[[5-(1H-benzimidazol-2-ylmethylthio)-1,3,4-thiadiazol-2-yl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[[5-(1H-benzimidazol-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]carbamoyl]benzoic acid Traditional Name: 2-[[5-(1H-benzimidazol-2-ylmethylthio)-1,3,4-thiadiazol-2-yl]carbamoyl]benzoic acid Formula: C18H13N5O3S2 MolecularWeight: 411.45752

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=NN=C(S2)SCC3=NC4=CC=CC=C4N3)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=NN=C(S2)SCC3=NC4=CC=CC=C4N3)C(=O)O

InChI

InChI=1S/C18H13N5O3S2/c24-15(10-5-1-2-6-11(10)16(25)26)21-17-22-23-18(28-17)27-9-14-19-12-7-3-4-8-13(12)20-14/h1-8H,9H2,(H,19,20)(H,25,26)(H,21,22,24)