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

Systemtic Name: 2-[[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]carbamoyl]benzoic acid Openeye Name: 2-[(5-benzyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoic acid CAS Name: 2-[oxo-[[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]amino]methyl]benzoic acid IUPAC Name: 2-[(5-benzyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoic acid Traditional Name: 2-[(5-benzyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoic acid Formula: C17H13N3O3S MolecularWeight: 339.36842

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NN=C(S2)NC(=O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2=NN=C(S2)NC(=O)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C17H13N3O3S/c21-15(12-8-4-5-9-13(12)16(22)23)18-17-20-19-14(24-17)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,22,23)(H,18,20,21)