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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2)C4=CC=C(C=C4)F)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2)C4=CC=C(C=C4)F)Cl

InChI

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