1-(4-azanyl-3-nitro-phenyl)-3-[4-[bis(fluoranyl)methylsulfanyl]phenyl]thiourea

Systemtic Name: 1-(4-azanyl-3-nitro-phenyl)-3-[4-[bis(fluoranyl)methylsulfanyl]phenyl]thiourea Openeye Name: 1-(4-amino-3-nitro-phenyl)-3-[4-(difluoromethylsulfanyl)phenyl]thiourea CAS Name: 1-(4-amino-3-nitrophenyl)-3-[4-(difluoromethylthio)phenyl]thiourea IUPAC Name: 1-(4-amino-3-nitrophenyl)-3-[4-(difluoromethylsulfanyl)phenyl]thiourea Traditional Name: 1-(4-amino-3-nitro-phenyl)-3-[4-(difluoromethylthio)phenyl]thiourea Formula: C14H12F2N4O2S2 MolecularWeight: 370.397486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=S)NC2=CC(=C(C=C2)N)[N+](=O)[O-])SC(F)F

Isomeric SMILES

C1=CC(=CC=C1NC(=S)NC2=CC(=C(C=C2)N)[N+](=O)[O-])SC(F)F

InChI

InChI=1S/C14H12F2N4O2S2/c15-13(16)24-10-4-1-8(2-5-10)18-14(23)19-9-3-6-11(17)12(7-9)20(21)22/h1-7,13H,17H2,(H2,18,19,23)