1-(4-chlorophenyl)-3-[2-[(5-nitropyridin-1-ium-2-yl)amino]ethyl]thiourea

Systemtic Name: 1-(4-chlorophenyl)-3-[2-[(5-nitropyridin-1-ium-2-yl)amino]ethyl]thiourea Openeye Name: 1-(4-chlorophenyl)-3-[2-[(5-nitropyridin-1-ium-2-yl)amino]ethyl]thiourea CAS Name: 1-(4-chlorophenyl)-3-[2-[(5-nitro-2-pyridin-1-iumyl)amino]ethyl]thiourea IUPAC Name: 1-(4-chlorophenyl)-3-[2-[(5-nitropyridin-1-ium-2-yl)amino]ethyl]thiourea Traditional Name: 1-(4-chlorophenyl)-3-[2-[(5-nitropyridin-1-ium-2-yl)amino]ethyl]thiourea Formula: C14H15ClN5O2S+ MolecularWeight: 352.8192

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=S)NCCNC2=[NH+]C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1NC(=S)NCCNC2=[NH+]C=C(C=C2)[N+](=O)[O-])Cl

InChI

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