N-[[6-chloranyl-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[[6-chloranyl-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-1-benzofuran-2-carboxamide Openeye Name: N-[[6-chloro-2-(p-tolyl)benzotriazol-5-yl]carbamothioyl]benzofuran-2-carboxamide CAS Name: N-[[[6-chloro-2-(4-methylphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-2-benzofurancarboxamide IUPAC Name: N-[[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-1-benzofuran-2-carboxamide Traditional Name: N-[[6-chloro-2-(p-tolyl)benzotriazol-5-yl]thiocarbamoyl]coumarilamide Formula: C23H16ClN5O2S MolecularWeight: 461.92344

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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=CC5=CC=CC=C5O4

Isomeric SMILES

CC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)Cl)NC(=S)NC(=O)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C23H16ClN5O2S/c1-13-6-8-15(9-7-13)29-27-18-11-16(24)17(12-19(18)28-29)25-23(32)26-22(30)21-10-14-4-2-3-5-20(14)31-21/h2-12H,1H3,(H2,25,26,30,32)