methyl 4,6,7-triphenyl-2,1,3-benzothiadiazole-5-carboxylate

Systemtic Name: methyl 4,6,7-triphenyl-2,1,3-benzothiadiazole-5-carboxylate Openeye Name: methyl 4,6,7-triphenyl-2,1,3-benzothiadiazole-5-carboxylate CAS Name: 4,6,7-triphenyl-2,1,3-benzothiadiazole-5-carboxylic acid methyl ester IUPAC Name: methyl 4,6,7-triphenyl-2,1,3-benzothiadiazole-5-carboxylate Traditional Name: 4,6,7-triphenylpiazthiole-5-carboxylic acid methyl ester Formula: C26H18N2O2S MolecularWeight: 422.49832

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=NSN=C2C(=C1C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=C(C2=NSN=C2C(=C1C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H18N2O2S/c1-30-26(29)23-20(17-11-5-2-6-12-17)21(18-13-7-3-8-14-18)24-25(28-31-27-24)22(23)19-15-9-4-10-16-19/h2-16H,1H3