N-[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]-2-chloranyl-5-iodanyl-benzamide

Systemtic Name: N-[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]-2-chloranyl-5-iodanyl-benzamide Openeye Name: N-[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]-2-chloro-5-iodo-benzamide CAS Name: N-[2-(4-butylphenyl)-6-methyl-5-benzotriazolyl]-2-chloro-5-iodobenzamide IUPAC Name: N-[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]-2-chloro-5-iodobenzamide Traditional Name: N-[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]-2-chloro-5-iodo-benzamide Formula: C24H22ClIN4O MolecularWeight: 544.81515

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=O)C4=C(C=CC(=C4)I)Cl)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=O)C4=C(C=CC(=C4)I)Cl)C

InChI

InChI=1S/C24H22ClIN4O/c1-3-4-5-16-6-9-18(10-7-16)30-28-22-12-15(2)21(14-23(22)29-30)27-24(31)19-13-17(26)8-11-20(19)25/h6-14H,3-5H2,1-2H3,(H,27,31)