N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-2-[bis(fluoranyl)methylsulfanyl]benzamide

Systemtic Name: N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-2-[bis(fluoranyl)methylsulfanyl]benzamide Openeye Name: N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-2-(difluoromethylsulfanyl)benzamide CAS Name: N-[1-(1-benzotriazolylmethyl)-4-pyrazolyl]-2-(difluoromethylthio)benzamide IUPAC Name: N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-2-(difluoromethylsulfanyl)benzamide Traditional Name: N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-2-(difluoromethylthio)benzamide Formula: C18H14F2N6OS MolecularWeight: 400.405166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=CN(N=C2)CN3C4=CC=CC=C4N=N3)SC(F)F

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=CN(N=C2)CN3C4=CC=CC=C4N=N3)SC(F)F

InChI

InChI=1S/C18H14F2N6OS/c19-18(20)28-16-8-4-1-5-13(16)17(27)22-12-9-21-25(10-12)11-26-15-7-3-2-6-14(15)23-24-26/h1-10,18H,11H2,(H,22,27)