N-[[2-(3-chloranyl-4-methyl-phenyl)benzotriazol-5-yl]carbamothioyl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[[2-(3-chloranyl-4-methyl-phenyl)benzotriazol-5-yl]carbamothioyl]-1-benzofuran-2-carboxamide Openeye Name: N-[[2-(3-chloro-4-methyl-phenyl)benzotriazol-5-yl]carbamothioyl]benzofuran-2-carboxamide CAS Name: N-[[[2-(3-chloro-4-methylphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-2-benzofurancarboxamide IUPAC Name: N-[[2-(3-chloro-4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-1-benzofuran-2-carboxamide Traditional Name: N-[[2-(3-chloro-4-methyl-phenyl)benzotriazol-5-yl]thiocarbamoyl]coumarilamide Formula: C23H16ClN5O2S MolecularWeight: 461.92344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H16ClN5O2S/c1-13-6-8-16(12-17(13)24)29-27-18-9-7-15(11-19(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)