1-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-3-[4-(trifluoromethylsulfanyl)phenyl]urea

Systemtic Name: 1-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-3-[4-(trifluoromethylsulfanyl)phenyl]urea Openeye Name: 1-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-3-[4-(trifluoromethylsulfanyl)phenyl]urea CAS Name: 1-[1-(1-benzotriazolylmethyl)-4-pyrazolyl]-3-[4-(trifluoromethylthio)phenyl]urea IUPAC Name: 1-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-3-[4-(trifluoromethylsulfanyl)phenyl]urea Traditional Name: 1-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-3-[4-(trifluoromethylthio)phenyl]urea Formula: C18H14F3N7OS MolecularWeight: 433.41027

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2CN3C=C(C=N3)NC(=O)NC4=CC=C(C=C4)SC(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2CN3C=C(C=N3)NC(=O)NC4=CC=C(C=C4)SC(F)(F)F

InChI

InChI=1S/C18H14F3N7OS/c19-18(20,21)30-14-7-5-12(6-8-14)23-17(29)24-13-9-22-27(10-13)11-28-16-4-2-1-3-15(16)25-26-28/h1-10H,11H2,(H2,23,24,29)