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

Systemtic Name: 3-[2-(5-azanyl-1,3,4-thiadiazol-2-yl)phenyl]benzoate Openeye Name: 3-[2-(5-amino-1,3,4-thiadiazol-2-yl)phenyl]benzoate CAS Name: 3-[2-(5-amino-1,3,4-thiadiazol-2-yl)phenyl]benzoate IUPAC Name: 3-[2-(5-amino-1,3,4-thiadiazol-2-yl)phenyl]benzoate Traditional Name: 3-[2-(5-amino-1,3,4-thiadiazol-2-yl)phenyl]benzoate Formula: C15H10N3O2S- MolecularWeight: 296.3238

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC(=CC=C2)C(=O)[O-])C3=NN=C(S3)N

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC(=CC=C2)C(=O)[O-])C3=NN=C(S3)N

InChI

InChI=1S/C15H11N3O2S/c16-15-18-17-13(21-15)12-7-2-1-6-11(12)9-4-3-5-10(8-9)14(19)20/h1-8H,(H2,16,18)(H,19,20)/p-1