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

Systemtic Name: 3-chloranyl-N-[[2-(4-fluorophenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]benzamide Openeye Name: 3-chloro-N-[[2-(4-fluorophenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]benzamide CAS Name: 3-chloro-N-[[[2-(4-fluorophenyl)-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-chloro-N-[[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]benzamide Traditional Name: 3-chloro-N-[[2-(4-fluorophenyl)-6-methyl-benzotriazol-5-yl]thiocarbamoyl]benzamide Formula: C21H15ClFN5OS MolecularWeight: 439.893103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C3=CC(=CC=C3)Cl)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C3=CC(=CC=C3)Cl)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H15ClFN5OS/c1-12-9-18-19(27-28(26-18)16-7-5-15(23)6-8-16)11-17(12)24-21(30)25-20(29)13-3-2-4-14(22)10-13/h2-11H,1H3,(H2,24,25,29,30)