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

Systemtic Name: 1-[(4-methylphenyl)methyl]-3-[4-nitro-2-(trifluoromethyl)phenyl]thiourea Openeye Name: 1-[4-nitro-2-(trifluoromethyl)phenyl]-3-(p-tolylmethyl)thiourea CAS Name: 1-[(4-methylphenyl)methyl]-3-[4-nitro-2-(trifluoromethyl)phenyl]thiourea IUPAC Name: 1-[(4-methylphenyl)methyl]-3-[4-nitro-2-(trifluoromethyl)phenyl]thiourea Traditional Name: 1-(4-methylbenzyl)-3-[4-nitro-2-(trifluoromethyl)phenyl]thiourea Formula: C16H14F3N3O2S MolecularWeight: 369.36147

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14F3N3O2S/c1-10-2-4-11(5-3-10)9-20-15(25)21-14-7-6-12(22(23)24)8-13(14)16(17,18)19/h2-8H,9H2,1H3,(H2,20,21,25)