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

Systemtic Name: 1-[3-[[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]propyl]-3-pyridin-3-yl-thiourea Openeye Name: 1-[3-[[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]propyl]-3-(3-pyridyl)thiourea CAS Name: 1-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridin-1-iumyl]amino]propyl]-3-(3-pyridinyl)thiourea IUPAC Name: 1-[3-[[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]propyl]-3-pyridin-3-ylthiourea Traditional Name: 1-[3-[[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]propyl]-3-(3-pyridyl)thiourea Formula: C15H16ClF3N5S+ MolecularWeight: 390.83425

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)NC(=S)NCCCNC2=C(C=C(C=[NH+]2)C(F)(F)F)Cl

Isomeric SMILES

C1=CC(=CN=C1)NC(=S)NCCCNC2=C(C=C(C=[NH+]2)C(F)(F)F)Cl

InChI

InChI=1S/C15H15ClF3N5S/c16-12-7-10(15(17,18)19)8-23-13(12)21-5-2-6-22-14(25)24-11-3-1-4-20-9-11/h1,3-4,7-9H,2,5-6H2,(H,21,23)(H2,22,24,25)/p+1