N-[[2-(4-chlorophenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-2-iodanyl-benzamide

Systemtic Name: N-[[2-(4-chlorophenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-2-iodanyl-benzamide Openeye Name: N-[[2-(4-chlorophenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-2-iodo-benzamide CAS Name: N-[[[2-(4-chlorophenyl)-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]-2-iodobenzamide IUPAC Name: N-[[2-(4-chlorophenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-2-iodobenzamide Traditional Name: N-[[2-(4-chlorophenyl)-6-methyl-benzotriazol-5-yl]thiocarbamoyl]-2-iodo-benzamide Formula: C21H15ClIN5OS MolecularWeight: 547.79917

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C3=CC=CC=C3I)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C3=CC=CC=C3I)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H15ClIN5OS/c1-12-10-18-19(27-28(26-18)14-8-6-13(22)7-9-14)11-17(12)24-21(30)25-20(29)15-4-2-3-5-16(15)23/h2-11H,1H3,(H2,24,25,29,30)