2-chloranyl-N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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