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

Systemtic Name: N-[[6-chloranyl-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide Openeye Name: N-[[6-chloro-2-(p-tolyl)benzotriazol-5-yl]carbamothioyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide CAS Name: N-[[[6-chloro-2-(4-methylphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-5-(3,4-dimethylphenyl)-2-furancarboxamide IUPAC Name: N-[[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide Traditional Name: N-[[6-chloro-2-(p-tolyl)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=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)Cl)NC(=S)NC(=O)C4=CC=C(O4)C5=CC(=C(C=C5)C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)Cl)NC(=S)NC(=O)C4=CC=C(O4)C5=CC(=C(C=C5)C)C

InChI

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