5-bromanyl-2-chloranyl-N-[[2-(4-methoxyphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-chloranyl-N-[[2-(4-methoxyphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]benzamide Openeye Name: 5-bromo-2-chloro-N-[[2-(4-methoxyphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]benzamide CAS Name: 5-bromo-2-chloro-N-[[[2-(4-methoxyphenyl)-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-chloro-N-[[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]benzamide Traditional Name: 5-bromo-2-chloro-N-[[2-(4-methoxyphenyl)-6-methyl-benzotriazol-5-yl]thiocarbamoyl]benzamide Formula: C22H17BrClN5O2S MolecularWeight: 530.82468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17BrClN5O2S/c1-12-9-19-20(28-29(27-19)14-4-6-15(31-2)7-5-14)11-18(12)25-22(32)26-21(30)16-10-13(23)3-8-17(16)24/h3-11H,1-2H3,(H2,25,26,30,32)