1-[2-(pyridin-1-ium-2-ylamino)ethyl]-3-[4-(trifluoromethyloxy)phenyl]thiourea

Systemtic Name: 1-[2-(pyridin-1-ium-2-ylamino)ethyl]-3-[4-(trifluoromethyloxy)phenyl]thiourea Openeye Name: 1-[2-(pyridin-1-ium-2-ylamino)ethyl]-3-[4-(trifluoromethoxy)phenyl]thiourea CAS Name: 1-[2-(2-pyridin-1-iumylamino)ethyl]-3-[4-(trifluoromethoxy)phenyl]thiourea IUPAC Name: 1-[2-(pyridin-1-ium-2-ylamino)ethyl]-3-[4-(trifluoromethoxy)phenyl]thiourea Traditional Name: 1-[2-(pyridin-1-ium-2-ylamino)ethyl]-3-[4-(trifluoromethoxy)phenyl]thiourea Formula: C15H16F3N4OS+ MolecularWeight: 357.37395

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[NH+]C(=C1)NCCNC(=S)NC2=CC=C(C=C2)OC(F)(F)F

Isomeric SMILES

C1=CC=[NH+]C(=C1)NCCNC(=S)NC2=CC=C(C=C2)OC(F)(F)F

InChI

InChI=1S/C15H15F3N4OS/c16-15(17,18)23-12-6-4-11(5-7-12)22-14(24)21-10-9-20-13-3-1-2-8-19-13/h1-8H,9-10H2,(H,19,20)(H2,21,22,24)/p+1