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

Systemtic Name: 3-chloranyl-N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]benzamide Openeye Name: 3-chloro-N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]benzamide CAS Name: 3-chloro-N-[[[2-(4-fluorophenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-chloro-N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]benzamide Traditional Name: 3-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(=CC(=C1)Cl)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2)C4=CC=C(C=C4)F

Isomeric SMILES

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

InChI

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