[2-(5-bromanyl-2-methoxy-phenyl)-1,3-thiazol-4-yl]methyl 1-ethylbenzotriazole-5-carboxylate

Systemtic Name: [2-(5-bromanyl-2-methoxy-phenyl)-1,3-thiazol-4-yl]methyl 1-ethylbenzotriazole-5-carboxylate Openeye Name: [2-(5-bromo-2-methoxy-phenyl)thiazol-4-yl]methyl 1-ethylbenzotriazole-5-carboxylate CAS Name: 1-ethyl-5-benzotriazolecarboxylic acid [2-(5-bromo-2-methoxyphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 1-ethylbenzotriazole-5-carboxylate Traditional Name: 1-ethylbenzotriazole-5-carboxylic acid [2-(5-bromo-2-methoxy-phenyl)thiazol-4-yl]methyl ester Formula: C20H17BrN4O3S MolecularWeight: 473.34298

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC3=CSC(=N3)C4=C(C=CC(=C4)Br)OC)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC3=CSC(=N3)C4=C(C=CC(=C4)Br)OC)N=N1

InChI

InChI=1S/C20H17BrN4O3S/c1-3-25-17-6-4-12(8-16(17)23-24-25)20(26)28-10-14-11-29-19(22-14)15-9-13(21)5-7-18(15)27-2/h4-9,11H,3,10H2,1-2H3