N-[[2-(4-chlorophenyl)benzotriazol-5-yl]carbamothioyl]-4-fluoranyl-benzamide

Systemtic Name: N-[[2-(4-chlorophenyl)benzotriazol-5-yl]carbamothioyl]-4-fluoranyl-benzamide Openeye Name: N-[[2-(4-chlorophenyl)benzotriazol-5-yl]carbamothioyl]-4-fluoro-benzamide CAS Name: N-[[[2-(4-chlorophenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-4-fluorobenzamide IUPAC Name: N-[[2-(4-chlorophenyl)benzotriazol-5-yl]carbamothioyl]-4-fluorobenzamide Traditional Name: N-[[2-(4-chlorophenyl)benzotriazol-5-yl]thiocarbamoyl]-4-fluoro-benzamide Formula: C20H13ClFN5OS MolecularWeight: 425.866523

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2)C4=CC=C(C=C4)Cl)F

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2)C4=CC=C(C=C4)Cl)F

InChI

InChI=1S/C20H13ClFN5OS/c21-13-3-8-16(9-4-13)27-25-17-10-7-15(11-18(17)26-27)23-20(29)24-19(28)12-1-5-14(22)6-2-12/h1-11H,(H2,23,24,28,29)