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

Systemtic Name: 1-[2-[[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]ethanoylamino]-3-methyl-thiourea Openeye Name: 1-[[2-[[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]acetyl]amino]-3-methyl-thiourea CAS Name: 1-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridin-1-iumyl]amino]-1-oxoethyl]amino]-3-methylthiourea IUPAC Name: 1-[[2-[[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]acetyl]amino]-3-methylthiourea Traditional Name: 1-[[2-[[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]acetyl]amino]-3-methyl-thiourea Formula: C10H12ClF3N5OS+ MolecularWeight: 342.74839

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)NNC(=O)CNC1=C(C=C(C=[NH+]1)C(F)(F)F)Cl

Isomeric SMILES

CNC(=S)NNC(=O)CNC1=C(C=C(C=[NH+]1)C(F)(F)F)Cl

InChI

InChI=1S/C10H11ClF3N5OS/c1-15-9(21)19-18-7(20)4-17-8-6(11)2-5(3-16-8)10(12,13)14/h2-3H,4H2,1H3,(H,16,17)(H,18,20)(H2,15,19,21)/p+1