N-[4-(2H-benzotriazol-5-ylcarbamothioylamino)phenyl]-2,6-bis(fluoranyl)benzamide

Systemtic Name: N-[4-(2H-benzotriazol-5-ylcarbamothioylamino)phenyl]-2,6-bis(fluoranyl)benzamide Openeye Name: N-[4-(2H-benzotriazol-5-ylcarbamothioylamino)phenyl]-2,6-difluoro-benzamide CAS Name: N-[4-[[(2H-benzotriazol-5-ylamino)-sulfanylidenemethyl]amino]phenyl]-2,6-difluorobenzamide IUPAC Name: N-[4-(2H-benzotriazol-5-ylcarbamothioylamino)phenyl]-2,6-difluorobenzamide Traditional Name: N-[4-(2H-benzotriazol-5-ylthiocarbamoylamino)phenyl]-2,6-difluoro-benzamide Formula: C20H14F2N6OS MolecularWeight: 424.426566

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)F)C(=O)NC2=CC=C(C=C2)NC(=S)NC3=CC4=NNN=C4C=C3)F

Isomeric SMILES

C1=CC(=C(C(=C1)F)C(=O)NC2=CC=C(C=C2)NC(=S)NC3=CC4=NNN=C4C=C3)F

InChI

InChI=1S/C20H14F2N6OS/c21-14-2-1-3-15(22)18(14)19(29)23-11-4-6-12(7-5-11)24-20(30)25-13-8-9-16-17(10-13)27-28-26-16/h1-10H,(H,23,29)(H2,24,25,30)(H,26,27,28)