1-[(1-methylpyrazol-4-yl)methyl]-3-[2-(trifluoromethyl)phenyl]thiourea

Systemtic Name: 1-[(1-methylpyrazol-4-yl)methyl]-3-[2-(trifluoromethyl)phenyl]thiourea Openeye Name: 1-[(1-methylpyrazol-4-yl)methyl]-3-[2-(trifluoromethyl)phenyl]thiourea CAS Name: 1-[(1-methyl-4-pyrazolyl)methyl]-3-[2-(trifluoromethyl)phenyl]thiourea IUPAC Name: 1-[(1-methylpyrazol-4-yl)methyl]-3-[2-(trifluoromethyl)phenyl]thiourea Traditional Name: 1-[(1-methylpyrazol-4-yl)methyl]-3-[2-(trifluoromethyl)phenyl]thiourea Formula: C13H13F3N4S MolecularWeight: 314.32933

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CNC(=S)NC2=CC=CC=C2C(F)(F)F

Isomeric SMILES

CN1C=C(C=N1)CNC(=S)NC2=CC=CC=C2C(F)(F)F

InChI

InChI=1S/C13H13F3N4S/c1-20-8-9(7-18-20)6-17-12(21)19-11-5-3-2-4-10(11)13(14,15)16/h2-5,7-8H,6H2,1H3,(H2,17,19,21)