5-[2,3-bis(chloranyl)phenyl]-N-[(6-methyl-2-naphthalen-1-yl-benzotriazol-5-yl)carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-[2,3-bis(chloranyl)phenyl]-N-[(6-methyl-2-naphthalen-1-yl-benzotriazol-5-yl)carbamothioyl]furan-2-carboxamide Openeye Name: 5-(2,3-dichlorophenyl)-N-[[6-methyl-2-(1-naphthyl)benzotriazol-5-yl]carbamothioyl]furan-2-carboxamide CAS Name: 5-(2,3-dichlorophenyl)-N-[[[6-methyl-2-(1-naphthalenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-(2,3-dichlorophenyl)-N-[(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)carbamothioyl]furan-2-carboxamide Traditional Name: 5-(2,3-dichlorophenyl)-N-[[6-methyl-2-(1-naphthyl)benzotriazol-5-yl]thiocarbamoyl]-2-furamide Formula: C29H19Cl2N5O2S MolecularWeight: 572.46446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C3=CC=C(O3)C4=C(C(=CC=C4)Cl)Cl)C5=CC=CC6=CC=CC=C65

Isomeric SMILES

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C3=CC=C(O3)C4=C(C(=CC=C4)Cl)Cl)C5=CC=CC6=CC=CC=C65

InChI

InChI=1S/C29H19Cl2N5O2S/c1-16-14-22-23(35-36(34-22)24-11-4-7-17-6-2-3-8-18(17)24)15-21(16)32-29(39)33-28(37)26-13-12-25(38-26)19-9-5-10-20(30)27(19)31/h2-15H,1H3,(H2,32,33,37,39)