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

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-3-[2-(pyridin-1-ium-2-ylamino)ethyl]thiourea Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-3-[2-(pyridin-1-ium-2-ylamino)ethyl]thiourea CAS Name: 1-(3-chloro-4-fluorophenyl)-3-[2-(2-pyridin-1-iumylamino)ethyl]thiourea IUPAC Name: 1-(3-chloro-4-fluorophenyl)-3-[2-(pyridin-1-ium-2-ylamino)ethyl]thiourea Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-3-[2-(pyridin-1-ium-2-ylamino)ethyl]thiourea Formula: C14H15ClFN4S+ MolecularWeight: 325.812103

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14ClFN4S/c15-11-9-10(4-5-12(11)16)20-14(21)19-8-7-18-13-3-1-2-6-17-13/h1-6,9H,7-8H2,(H,17,18)(H2,19,20,21)/p+1