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

Systemtic Name: 1-(4-ethoxyphenyl)-3-[4-nitro-2-(trifluoromethyl)phenyl]thiourea Openeye Name: 1-(4-ethoxyphenyl)-3-[4-nitro-2-(trifluoromethyl)phenyl]thiourea CAS Name: 1-(4-ethoxyphenyl)-3-[4-nitro-2-(trifluoromethyl)phenyl]thiourea IUPAC Name: 1-(4-ethoxyphenyl)-3-[4-nitro-2-(trifluoromethyl)phenyl]thiourea Traditional Name: 1-[4-nitro-2-(trifluoromethyl)phenyl]-3-p-phenetyl-thiourea Formula: C16H14F3N3O3S MolecularWeight: 385.36087

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C16H14F3N3O3S/c1-2-25-12-6-3-10(4-7-12)20-15(26)21-14-8-5-11(22(23)24)9-13(14)16(17,18)19/h3-9H,2H2,1H3,(H2,20,21,26)