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

Systemtic Name: N-[[2-(4-ethoxyphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-3-fluoranyl-benzamide Openeye Name: N-[[2-(4-ethoxyphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-3-fluoro-benzamide CAS Name: N-[[[2-(4-ethoxyphenyl)-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]-3-fluorobenzamide IUPAC Name: N-[[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-3-fluorobenzamide Traditional Name: 3-fluoro-N-[(6-methyl-2-p-phenetyl-benzotriazol-5-yl)thiocarbamoyl]benzamide Formula: C23H20FN5O2S MolecularWeight: 449.500603

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=S)NC(=O)C4=CC(=CC=C4)F)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=S)NC(=O)C4=CC(=CC=C4)F)C

InChI

InChI=1S/C23H20FN5O2S/c1-3-31-18-9-7-17(8-10-18)29-27-20-11-14(2)19(13-21(20)28-29)25-23(32)26-22(30)15-5-4-6-16(24)12-15/h4-13H,3H2,1-2H3,(H2,25,26,30,32)