2,3,5,6-tetrakis(fluoranyl)-4-methoxy-N-[(2-naphthalen-1-ylbenzotriazol-5-yl)carbamothioyl]benzamide

Systemtic Name: 2,3,5,6-tetrakis(fluoranyl)-4-methoxy-N-[(2-naphthalen-1-ylbenzotriazol-5-yl)carbamothioyl]benzamide Openeye Name: 2,3,5,6-tetrafluoro-4-methoxy-N-[[2-(1-naphthyl)benzotriazol-5-yl]carbamothioyl]benzamide CAS Name: 2,3,5,6-tetrafluoro-4-methoxy-N-[[[2-(1-naphthalenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 2,3,5,6-tetrafluoro-4-methoxy-N-[(2-naphthalen-1-ylbenzotriazol-5-yl)carbamothioyl]benzamide Traditional Name: 2,3,5,6-tetrafluoro-4-methoxy-N-[[2-(1-naphthyl)benzotriazol-5-yl]thiocarbamoyl]benzamide Formula: C25H15F4N5O2S MolecularWeight: 525.477513

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1F)F)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2)C4=CC=CC5=CC=CC=C54)F)F

Isomeric SMILES

COC1=C(C(=C(C(=C1F)F)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2)C4=CC=CC5=CC=CC=C54)F)F

InChI

InChI=1S/C25H15F4N5O2S/c1-36-23-21(28)19(26)18(20(27)22(23)29)24(35)31-25(37)30-13-9-10-15-16(11-13)33-34(32-15)17-8-4-6-12-5-2-3-7-14(12)17/h2-11H,1H3,(H2,30,31,35,37)