1-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-3-(2-methyl-3-nitro-phenyl)thiourea

Systemtic Name: 1-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-3-(2-methyl-3-nitro-phenyl)thiourea Openeye Name: 1-[4-(difluoromethylsulfanyl)phenyl]-3-(2-methyl-3-nitro-phenyl)thiourea CAS Name: 1-[4-(difluoromethylthio)phenyl]-3-(2-methyl-3-nitrophenyl)thiourea IUPAC Name: 1-[4-(difluoromethylsulfanyl)phenyl]-3-(2-methyl-3-nitrophenyl)thiourea Traditional Name: 1-[4-(difluoromethylthio)phenyl]-3-(2-methyl-3-nitro-phenyl)thiourea Formula: C15H13F2N3O2S2 MolecularWeight: 369.409426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=S)NC2=CC=C(C=C2)SC(F)F

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=S)NC2=CC=C(C=C2)SC(F)F

InChI

InChI=1S/C15H13F2N3O2S2/c1-9-12(3-2-4-13(9)20(21)22)19-15(23)18-10-5-7-11(8-6-10)24-14(16)17/h2-8,14H,1H3,(H2,18,19,23)