1-oxidanidyl-1-(pyridin-4-ylmethyl)-3-[3-(trifluoromethyl)phenyl]thiourea

Systemtic Name: 1-oxidanidyl-1-(pyridin-4-ylmethyl)-3-[3-(trifluoromethyl)phenyl]thiourea Openeye Name: 1-oxido-1-(4-pyridylmethyl)-3-[3-(trifluoromethyl)phenyl]thiourea CAS Name: 1-oxido-1-(pyridin-4-ylmethyl)-3-[3-(trifluoromethyl)phenyl]thiourea IUPAC Name: 1-oxido-1-(pyridin-4-ylmethyl)-3-[3-(trifluoromethyl)phenyl]thiourea Traditional Name: 1-oxido-1-(4-pyridylmethyl)-3-[3-(trifluoromethyl)phenyl]thiourea Formula: C14H11F3N3OS- MolecularWeight: 326.31685

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=S)N(CC2=CC=NC=C2)[O-])C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)NC(=S)N(CC2=CC=NC=C2)[O-])C(F)(F)F

InChI

InChI=1S/C14H11F3N3OS/c15-14(16,17)11-2-1-3-12(8-11)19-13(22)20(21)9-10-4-6-18-7-5-10/h1-8H,9H2,(H,19,22)/q-1