1-[2-[[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]ethyl]-3-prop-2-enyl-thiourea

Systemtic Name: 1-[2-[[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]ethyl]-3-prop-2-enyl-thiourea Openeye Name: 1-allyl-3-[2-[[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]ethyl]thiourea CAS Name: 1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridin-1-iumyl]amino]ethyl]-3-prop-2-enylthiourea IUPAC Name: 1-[2-[[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]ethyl]-3-prop-2-enylthiourea Traditional Name: 1-allyl-3-[2-[[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]ethyl]thiourea Formula: C12H15ClF3N4S+ MolecularWeight: 339.78751

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)NCCNC1=C(C=C(C=[NH+]1)C(F)(F)F)Cl

Isomeric SMILES

C=CCNC(=S)NCCNC1=C(C=C(C=[NH+]1)C(F)(F)F)Cl

InChI

InChI=1S/C12H14ClF3N4S/c1-2-3-18-11(21)19-5-4-17-10-9(13)6-8(7-20-10)12(14,15)16/h2,6-7H,1,3-5H2,(H,17,20)(H2,18,19,21)/p+1