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

Systemtic Name: 4-fluoranyl-N-[[2-(4-methoxyphenyl)benzotriazol-5-yl]carbamothioyl]benzamide Openeye Name: 4-fluoro-N-[[2-(4-methoxyphenyl)benzotriazol-5-yl]carbamothioyl]benzamide CAS Name: 4-fluoro-N-[[[2-(4-methoxyphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-fluoro-N-[[2-(4-methoxyphenyl)benzotriazol-5-yl]carbamothioyl]benzamide Traditional Name: 4-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=C(C=C4)F

Isomeric SMILES

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

InChI

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