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

Systemtic Name: 5-bromanyl-N-[[2-(4-butylphenyl)-6-chloranyl-benzotriazol-5-yl]carbamothioyl]-2-methoxy-benzamide Openeye Name: 5-bromo-N-[[2-(4-butylphenyl)-6-chloro-benzotriazol-5-yl]carbamothioyl]-2-methoxy-benzamide CAS Name: 5-bromo-N-[[[2-(4-butylphenyl)-6-chloro-5-benzotriazolyl]amino]-sulfanylidenemethyl]-2-methoxybenzamide IUPAC Name: 5-bromo-N-[[2-(4-butylphenyl)-6-chlorobenzotriazol-5-yl]carbamothioyl]-2-methoxybenzamide Traditional Name: 5-bromo-N-[[2-(4-butylphenyl)-6-chloro-benzotriazol-5-yl]thiocarbamoyl]-2-methoxy-benzamide Formula: C25H23BrClN5O2S MolecularWeight: 572.90442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)Cl)NC(=S)NC(=O)C4=C(C=CC(=C4)Br)OC

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)Cl)NC(=S)NC(=O)C4=C(C=CC(=C4)Br)OC

InChI

InChI=1S/C25H23BrClN5O2S/c1-3-4-5-15-6-9-17(10-7-15)32-30-21-13-19(27)20(14-22(21)31-32)28-25(35)29-24(33)18-12-16(26)8-11-23(18)34-2/h6-14H,3-5H2,1-2H3,(H2,28,29,33,35)