5-(3,4-dimethylphenyl)-N-[[2-(4-ethylphenyl)benzotriazol-5-yl]carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-(3,4-dimethylphenyl)-N-[[2-(4-ethylphenyl)benzotriazol-5-yl]carbamothioyl]furan-2-carboxamide Openeye Name: 5-(3,4-dimethylphenyl)-N-[[2-(4-ethylphenyl)benzotriazol-5-yl]carbamothioyl]furan-2-carboxamide CAS Name: 5-(3,4-dimethylphenyl)-N-[[[2-(4-ethylphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-(3,4-dimethylphenyl)-N-[[2-(4-ethylphenyl)benzotriazol-5-yl]carbamothioyl]furan-2-carboxamide Traditional Name: 5-(3,4-dimethylphenyl)-N-[[2-(4-ethylphenyl)benzotriazol-5-yl]thiocarbamoyl]-2-furamide Formula: C28H25N5O2S MolecularWeight: 495.5954

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=CC=C(O4)C5=CC(=C(C=C5)C)C

Isomeric SMILES

CCC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=CC=C(O4)C5=CC(=C(C=C5)C)C

InChI

InChI=1S/C28H25N5O2S/c1-4-19-6-10-22(11-7-19)33-31-23-12-9-21(16-24(23)32-33)29-28(36)30-27(34)26-14-13-25(35-26)20-8-5-17(2)18(3)15-20/h5-16H,4H2,1-3H3,(H2,29,30,34,36)