5-(3,4-dimethylphenyl)-N-[(6-methyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-(3,4-dimethylphenyl)-N-[(6-methyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]furan-2-carboxamide Openeye Name: 5-(3,4-dimethylphenyl)-N-[(6-methyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]furan-2-carboxamide CAS Name: 5-(3,4-dimethylphenyl)-N-[[(6-methyl-2-phenyl-5-benzotriazolyl)amino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-(3,4-dimethylphenyl)-N-[(6-methyl-2-phenylbenzotriazol-5-yl)carbamothioyl]furan-2-carboxamide Traditional Name: 5-(3,4-dimethylphenyl)-N-[(6-methyl-2-phenyl-benzotriazol-5-yl)thiocarbamoyl]-2-furamide Formula: C27H23N5O2S MolecularWeight: 481.56882

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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=C3C)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=C3C)C5=CC=CC=C5)C

InChI

InChI=1S/C27H23N5O2S/c1-16-9-10-19(13-17(16)2)24-11-12-25(34-24)26(33)29-27(35)28-21-15-23-22(14-18(21)3)30-32(31-23)20-7-5-4-6-8-20/h4-15H,1-3H3,(H2,28,29,33,35)