5-bromanyl-N-[2-(4-butylphenyl)-6-chloranyl-benzotriazol-5-yl]furan-2-carboxamide

Systemtic Name: 5-bromanyl-N-[2-(4-butylphenyl)-6-chloranyl-benzotriazol-5-yl]furan-2-carboxamide Openeye Name: 5-bromo-N-[2-(4-butylphenyl)-6-chloro-benzotriazol-5-yl]furan-2-carboxamide CAS Name: 5-bromo-N-[2-(4-butylphenyl)-6-chloro-5-benzotriazolyl]-2-furancarboxamide IUPAC Name: 5-bromo-N-[2-(4-butylphenyl)-6-chlorobenzotriazol-5-yl]furan-2-carboxamide Traditional Name: 5-bromo-N-[2-(4-butylphenyl)-6-chloro-benzotriazol-5-yl]-2-furamide Formula: C21H18BrClN4O2 MolecularWeight: 473.75022

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)Cl)NC(=O)C4=CC=C(O4)Br

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)Cl)NC(=O)C4=CC=C(O4)Br

InChI

InChI=1S/C21H18BrClN4O2/c1-2-3-4-13-5-7-14(8-6-13)27-25-17-11-15(23)16(12-18(17)26-27)24-21(28)19-9-10-20(22)29-19/h5-12H,2-4H2,1H3,(H,24,28)