3-(4-methoxyphenyl)-1-pyridin-1-ium-1-yl-1-(1,2,2-tricyanoethenyl)thiourea

Systemtic Name: 3-(4-methoxyphenyl)-1-pyridin-1-ium-1-yl-1-(1,2,2-tricyanoethenyl)thiourea Openeye Name: 3-(4-methoxyphenyl)-1-pyridin-1-ium-1-yl-1-(1,2,2-tricyanovinyl)thiourea CAS Name: 3-(4-methoxyphenyl)-1-(1-pyridin-1-iumyl)-1-(1,2,2-tricyanoethenyl)thiourea IUPAC Name: 3-(4-methoxyphenyl)-1-pyridin-1-ium-1-yl-1-(1,2,2-tricyanoethenyl)thiourea Traditional Name: 3-(4-methoxyphenyl)-1-pyridin-1-ium-1-yl-1-(1,2,2-tricyanovinyl)thiourea Formula: C18H13N6OS+ MolecularWeight: 361.40042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=S)N(C(=C(C#N)C#N)C#N)[N+]2=CC=CC=C2

Isomeric SMILES

COC1=CC=C(C=C1)NC(=S)N(C(=C(C#N)C#N)C#N)[N+]2=CC=CC=C2

InChI

InChI=1S/C18H12N6OS/c1-25-16-7-5-15(6-8-16)22-18(26)24(23-9-3-2-4-10-23)17(13-21)14(11-19)12-20/h2-10H,1H3/p+1