1-(3-chloranyl-4-methyl-phenyl)-3-[4-nitro-2-(trifluoromethyl)phenyl]thiourea

Systemtic Name: 1-(3-chloranyl-4-methyl-phenyl)-3-[4-nitro-2-(trifluoromethyl)phenyl]thiourea Openeye Name: 1-(3-chloro-4-methyl-phenyl)-3-[4-nitro-2-(trifluoromethyl)phenyl]thiourea CAS Name: 1-(3-chloro-4-methylphenyl)-3-[4-nitro-2-(trifluoromethyl)phenyl]thiourea IUPAC Name: 1-(3-chloro-4-methylphenyl)-3-[4-nitro-2-(trifluoromethyl)phenyl]thiourea Traditional Name: 1-(3-chloro-4-methyl-phenyl)-3-[4-nitro-2-(trifluoromethyl)phenyl]thiourea Formula: C15H11ClF3N3O2S MolecularWeight: 389.77995

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11ClF3N3O2S/c1-8-2-3-9(6-12(8)16)20-14(25)21-13-5-4-10(22(23)24)7-11(13)15(17,18)19/h2-7H,1H3,(H2,20,21,25)