N-[[2-(4-butylphenyl)-6-chloranyl-benzotriazol-5-yl]carbamothioyl]-3-fluoranyl-benzamide

Systemtic Name: N-[[2-(4-butylphenyl)-6-chloranyl-benzotriazol-5-yl]carbamothioyl]-3-fluoranyl-benzamide Openeye Name: N-[[2-(4-butylphenyl)-6-chloro-benzotriazol-5-yl]carbamothioyl]-3-fluoro-benzamide CAS Name: N-[[[2-(4-butylphenyl)-6-chloro-5-benzotriazolyl]amino]-sulfanylidenemethyl]-3-fluorobenzamide IUPAC Name: N-[[2-(4-butylphenyl)-6-chlorobenzotriazol-5-yl]carbamothioyl]-3-fluorobenzamide Traditional Name: N-[[2-(4-butylphenyl)-6-chloro-benzotriazol-5-yl]thiocarbamoyl]-3-fluoro-benzamide Formula: C24H21ClFN5OS MolecularWeight: 481.972843

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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=CC(=CC=C4)F

Isomeric SMILES

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

InChI

InChI=1S/C24H21ClFN5OS/c1-2-3-5-15-8-10-18(11-9-15)31-29-21-13-19(25)20(14-22(21)30-31)27-24(33)28-23(32)16-6-4-7-17(26)12-16/h4,6-14H,2-3,5H2,1H3,(H2,27,28,32,33)