3-(2H-benzotriazol-5-ylsulfanylcarbamoylamino)-2,6-bis(fluoranyl)-4-phenyl-benzamide

Systemtic Name: 3-(2H-benzotriazol-5-ylsulfanylcarbamoylamino)-2,6-bis(fluoranyl)-4-phenyl-benzamide Openeye Name: 3-(2H-benzotriazol-5-ylsulfanylcarbamoylamino)-2,6-difluoro-4-phenyl-benzamide CAS Name: 3-[[[(2H-benzotriazol-5-ylthio)amino]-oxomethyl]amino]-2,6-difluoro-4-phenylbenzamide IUPAC Name: 3-(2H-benzotriazol-5-ylsulfanylcarbamoylamino)-2,6-difluoro-4-phenylbenzamide Traditional Name: 3-[(2H-benzotriazol-5-ylthio)carbamoylamino]-2,6-difluoro-4-phenyl-benzamide Formula: C20H14F2N6O2S MolecularWeight: 440.425966

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=C(C(=C2NC(=O)NSC3=CC4=NNN=C4C=C3)F)C(=O)N)F

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=C(C(=C2NC(=O)NSC3=CC4=NNN=C4C=C3)F)C(=O)N)F

InChI

InChI=1S/C20H14F2N6O2S/c21-13-9-12(10-4-2-1-3-5-10)18(17(22)16(13)19(23)29)24-20(30)27-31-11-6-7-14-15(8-11)26-28-25-14/h1-9H,(H2,23,29)(H2,24,27,30)(H,25,26,28)