3-[2-[5-(2-phenylethanoylamino)-1,3,4-thiadiazol-2-yl]phenyl]benzoate

Systemtic Name: 3-[2-[5-(2-phenylethanoylamino)-1,3,4-thiadiazol-2-yl]phenyl]benzoate Openeye Name: 3-[2-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]phenyl]benzoate CAS Name: 3-[2-[5-[(1-oxo-2-phenylethyl)amino]-1,3,4-thiadiazol-2-yl]phenyl]benzoate IUPAC Name: 3-[2-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]phenyl]benzoate Traditional Name: 3-[2-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]phenyl]benzoate Formula: C23H16N3O3S- MolecularWeight: 414.45644

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)NC2=NN=C(S2)C3=CC=CC=C3C4=CC(=CC=C4)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)NC2=NN=C(S2)C3=CC=CC=C3C4=CC(=CC=C4)C(=O)[O-]

InChI

InChI=1S/C23H17N3O3S/c27-20(13-15-7-2-1-3-8-15)24-23-26-25-21(30-23)19-12-5-4-11-18(19)16-9-6-10-17(14-16)22(28)29/h1-12,14H,13H2,(H,28,29)(H,24,26,27)/p-1