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

Systemtic Name: N-[[2-(3-chloranyl-4-methyl-phenyl)benzotriazol-5-yl]carbamothioyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide Openeye Name: N-[[2-(3-chloro-4-methyl-phenyl)benzotriazol-5-yl]carbamothioyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide CAS Name: N-[[[2-(3-chloro-4-methylphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-5-(3,4-dimethylphenyl)-2-furancarboxamide IUPAC Name: N-[[2-(3-chloro-4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide Traditional Name: N-[[2-(3-chloro-4-methyl-phenyl)benzotriazol-5-yl]thiocarbamoyl]-5-(3,4-dimethylphenyl)-2-furamide Formula: C27H22ClN5O2S MolecularWeight: 516.01388

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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(=C(C=C5)C)Cl)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(=C(C=C5)C)Cl)C

InChI

InChI=1S/C27H22ClN5O2S/c1-15-4-6-18(12-17(15)3)24-10-11-25(35-24)26(34)30-27(36)29-19-7-9-22-23(13-19)32-33(31-22)20-8-5-16(2)21(28)14-20/h4-14H,1-3H3,(H2,29,30,34,36)