2-fluoranyl-N-[(6-methyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]benzamide

Systemtic Name: 2-fluoranyl-N-[(6-methyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]benzamide Openeye Name: 2-fluoro-N-[(6-methyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]benzamide CAS Name: 2-fluoro-N-[[(6-methyl-2-phenyl-5-benzotriazolyl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-fluoro-N-[(6-methyl-2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide Traditional Name: 2-fluoro-N-[(6-methyl-2-phenyl-benzotriazol-5-yl)thiocarbamoyl]benzamide Formula: C21H16FN5OS MolecularWeight: 405.448043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C3=CC=CC=C3F)C4=CC=CC=C4

Isomeric SMILES

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C3=CC=CC=C3F)C4=CC=CC=C4

InChI

InChI=1S/C21H16FN5OS/c1-13-11-18-19(26-27(25-18)14-7-3-2-4-8-14)12-17(13)23-21(29)24-20(28)15-9-5-6-10-16(15)22/h2-12H,1H3,(H2,23,24,28,29)