1,1-diethyl-3-[[(1E)-1-(1-oxidanylidenepyridin-1-ium-2-ylidene)ethyl]amino]thiourea

Systemtic Name: 1,1-diethyl-3-[[(1E)-1-(1-oxidanylidenepyridin-1-ium-2-ylidene)ethyl]amino]thiourea Openeye Name: 1,1-diethyl-3-[[(1E)-1-(1-oxopyridin-1-ium-2-ylidene)ethyl]amino]thiourea CAS Name: 1,1-diethyl-3-[[(1E)-1-(1-oxo-2-pyridin-1-iumylidene)ethyl]amino]thiourea IUPAC Name: 1,1-diethyl-3-[[(1E)-1-(1-oxopyridin-1-ium-2-ylidene)ethyl]amino]thiourea Traditional Name: 1,1-diethyl-3-[[(1E)-1-(1-ketopyridin-1-ium-2-ylidene)ethyl]amino]thiourea Formula: C12H19N4OS+ MolecularWeight: 267.37046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)NNC(=C1C=CC=C[N+]1=O)C

Isomeric SMILES

CCN(CC)C(=S)NN/C(=C/1\C=CC=C[N+]1=O)/C

InChI

InChI=1S/C12H18N4OS/c1-4-15(5-2)12(18)14-13-10(3)11-8-6-7-9-16(11)17/h6-9H,4-5H2,1-3H3,(H-,13,14,17,18)/p+1