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

Systemtic Name: 4-[[5-(3H-benzimidazol-5-ylcarbonylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoic acid Openeye Name: 4-[[5-(3H-benzimidazole-5-carbonylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoic acid CAS Name: 4-[[[5-[[3H-benzimidazol-5-yl(oxo)methyl]amino]-1,3,4-thiadiazol-2-yl]thio]methyl]benzoic acid IUPAC Name: 4-[[5-(3H-benzimidazole-5-carbonylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoic acid Traditional Name: 4-[[[5-(3H-benzimidazole-5-carbonylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]benzoic acid Formula: C18H13N5O3S2 MolecularWeight: 411.45752

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NN=C(S2)NC(=O)C3=CC4=C(C=C3)N=CN4)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CSC2=NN=C(S2)NC(=O)C3=CC4=C(C=C3)N=CN4)C(=O)O

InChI

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