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

Systemtic Name: 1-[4-(pyridin-4-ylmethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]thiourea Openeye Name: 1-[4-(4-pyridylmethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]thiourea CAS Name: 1-[4-(pyridin-4-ylmethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]thiourea IUPAC Name: 1-[4-(pyridin-4-ylmethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]thiourea Traditional Name: 1-[4-(4-pyridylmethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]thiourea Formula: C20H16F3N3S MolecularWeight: 387.42135

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=S)NC2=CC=C(C=C2)CC3=CC=NC=C3)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)NC(=S)NC2=CC=C(C=C2)CC3=CC=NC=C3)C(F)(F)F

InChI

InChI=1S/C20H16F3N3S/c21-20(22,23)16-2-1-3-18(13-16)26-19(27)25-17-6-4-14(5-7-17)12-15-8-10-24-11-9-15/h1-11,13H,12H2,(H2,25,26,27)