5-(4-bromophenyl)-N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-(4-bromophenyl)-N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]furan-2-carboxamide Openeye Name: 5-(4-bromophenyl)-N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]furan-2-carboxamide CAS Name: 5-(4-bromophenyl)-N-[[[2-(4-butylphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-(4-bromophenyl)-N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]furan-2-carboxamide Traditional Name: 5-(4-bromophenyl)-N-[[2-(4-butylphenyl)benzotriazol-5-yl]thiocarbamoyl]-2-furamide Formula: C28H24BrN5O2S MolecularWeight: 574.49146

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=CC=C(O4)C5=CC=C(C=C5)Br

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=CC=C(O4)C5=CC=C(C=C5)Br

InChI

InChI=1S/C28H24BrN5O2S/c1-2-3-4-18-5-12-22(13-6-18)34-32-23-14-11-21(17-24(23)33-34)30-28(37)31-27(35)26-16-15-25(36-26)19-7-9-20(29)10-8-19/h5-17H,2-4H2,1H3,(H2,30,31,35,37)