1-(2-chloranyl-5-nitro-phenyl)-3-[2-(pyridin-1-ium-2-ylamino)ethyl]thiourea

Systemtic Name: 1-(2-chloranyl-5-nitro-phenyl)-3-[2-(pyridin-1-ium-2-ylamino)ethyl]thiourea Openeye Name: 1-(2-chloro-5-nitro-phenyl)-3-[2-(pyridin-1-ium-2-ylamino)ethyl]thiourea CAS Name: 1-(2-chloro-5-nitrophenyl)-3-[2-(2-pyridin-1-iumylamino)ethyl]thiourea IUPAC Name: 1-(2-chloro-5-nitrophenyl)-3-[2-(pyridin-1-ium-2-ylamino)ethyl]thiourea Traditional Name: 1-(2-chloro-5-nitro-phenyl)-3-[2-(pyridin-1-ium-2-ylamino)ethyl]thiourea Formula: C14H15ClN5O2S+ MolecularWeight: 352.8192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[NH+]C(=C1)NCCNC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=[NH+]C(=C1)NCCNC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C14H14ClN5O2S/c15-11-5-4-10(20(21)22)9-12(11)19-14(23)18-8-7-17-13-3-1-2-6-16-13/h1-6,9H,7-8H2,(H,16,17)(H2,18,19,23)/p+1