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

Systemtic Name: 5-(3,4-dimethylphenyl)-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]furan-2-carboxamide Openeye Name: 5-(3,4-dimethylphenyl)-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]furan-2-carboxamide CAS Name: 5-(3,4-dimethylphenyl)-N-[[(2-phenyl-5-benzotriazolyl)amino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-(3,4-dimethylphenyl)-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]furan-2-carboxamide Traditional Name: 5-(3,4-dimethylphenyl)-N-[(2-phenylbenzotriazol-5-yl)thiocarbamoyl]-2-furamide Formula: C26H21N5O2S MolecularWeight: 467.54224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC=C(O2)C(=O)NC(=S)NC3=CC4=NN(N=C4C=C3)C5=CC=CC=C5)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC=C(O2)C(=O)NC(=S)NC3=CC4=NN(N=C4C=C3)C5=CC=CC=C5)C

InChI

InChI=1S/C26H21N5O2S/c1-16-8-9-18(14-17(16)2)23-12-13-24(33-23)25(32)28-26(34)27-19-10-11-21-22(15-19)30-31(29-21)20-6-4-3-5-7-20/h3-15H,1-2H3,(H2,27,28,32,34)