[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxidanylidene-ethyl] 3-phenyl-1H-pyrazole-5-carboxylate

Systemtic Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxidanylidene-ethyl] 3-phenyl-1H-pyrazole-5-carboxylate Openeye Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxo-ethyl] 3-phenyl-1H-pyrazole-5-carboxylate CAS Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 3-phenyl-1H-pyrazole-5-carboxylate Traditional Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [2-keto-2-(piazthiol-4-ylamino)ethyl] ester Formula: C18H13N5O3S MolecularWeight: 379.39252

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NNC(=C2)C(=O)OCC(=O)NC3=CC=CC4=NSN=C43

Isomeric SMILES

C1=CC=C(C=C1)C2=NNC(=C2)C(=O)OCC(=O)NC3=CC=CC4=NSN=C43

InChI

InChI=1S/C18H13N5O3S/c24-16(19-12-7-4-8-13-17(12)23-27-22-13)10-26-18(25)15-9-14(20-21-15)11-5-2-1-3-6-11/h1-9H,10H2,(H,19,24)(H,20,21)