2-fluoranyl-N-[[2-(4-methoxyphenyl)benzotriazol-5-yl]carbamothioyl]benzamide

Systemtic Name: 2-fluoranyl-N-[[2-(4-methoxyphenyl)benzotriazol-5-yl]carbamothioyl]benzamide Openeye Name: 2-fluoro-N-[[2-(4-methoxyphenyl)benzotriazol-5-yl]carbamothioyl]benzamide CAS Name: 2-fluoro-N-[[[2-(4-methoxyphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-fluoro-N-[[2-(4-methoxyphenyl)benzotriazol-5-yl]carbamothioyl]benzamide Traditional Name: 2-fluoro-N-[[2-(4-methoxyphenyl)benzotriazol-5-yl]thiocarbamoyl]benzamide Formula: C21H16FN5O2S MolecularWeight: 421.447443

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=CC=CC=C4F

Isomeric SMILES

COC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=CC=CC=C4F

InChI

InChI=1S/C21H16FN5O2S/c1-29-15-9-7-14(8-10-15)27-25-18-11-6-13(12-19(18)26-27)23-21(30)24-20(28)16-4-2-3-5-17(16)22/h2-12H,1H3,(H2,23,24,28,30)