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

Systemtic Name: 1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-[(4-methylsulfonylphenyl)methyl]thiourea Openeye Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[(4-methylsulfonylphenyl)methyl]thiourea CAS Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[(4-methylsulfonylphenyl)methyl]thiourea IUPAC Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[(4-methylsulfonylphenyl)methyl]thiourea Traditional Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-mesylbenzyl)thiourea Formula: C16H14ClF3N2O2S2 MolecularWeight: 422.87277

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CNC(=S)NC2=CC(=C(C=C2)Cl)C(F)(F)F

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CNC(=S)NC2=CC(=C(C=C2)Cl)C(F)(F)F

InChI

InChI=1S/C16H14ClF3N2O2S2/c1-26(23,24)12-5-2-10(3-6-12)9-21-15(25)22-11-4-7-14(17)13(8-11)16(18,19)20/h2-8H,9H2,1H3,(H2,21,22,25)