3-[2-[5-(butanoylamino)-1,3,4-thiadiazol-2-yl]phenyl]benzoic acid

Systemtic Name: 3-[2-[5-(butanoylamino)-1,3,4-thiadiazol-2-yl]phenyl]benzoic acid Openeye Name: 3-[2-[5-(butanoylamino)-1,3,4-thiadiazol-2-yl]phenyl]benzoic acid CAS Name: 3-[2-[5-(1-oxobutylamino)-1,3,4-thiadiazol-2-yl]phenyl]benzoic acid IUPAC Name: 3-[2-[5-(butanoylamino)-1,3,4-thiadiazol-2-yl]phenyl]benzoic acid Traditional Name: 3-[2-(5-butyramido-1,3,4-thiadiazol-2-yl)phenyl]benzoic acid Formula: C19H17N3O3S MolecularWeight: 367.42158

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=NN=C(S1)C2=CC=CC=C2C3=CC(=CC=C3)C(=O)O

Isomeric SMILES

CCCC(=O)NC1=NN=C(S1)C2=CC=CC=C2C3=CC(=CC=C3)C(=O)O

InChI

InChI=1S/C19H17N3O3S/c1-2-6-16(23)20-19-22-21-17(26-19)15-10-4-3-9-14(15)12-7-5-8-13(11-12)18(24)25/h3-5,7-11H,2,6H2,1H3,(H,24,25)(H,20,22,23)