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

Systemtic Name: 3-(4-methoxyphenyl)-1-pyridin-1-ium-1-yl-1-(1,1,2,2-tetracyanoethyl)thiourea Openeye Name: 3-(4-methoxyphenyl)-1-pyridin-1-ium-1-yl-1-(1,1,2,2-tetracyanoethyl)thiourea CAS Name: 3-(4-methoxyphenyl)-1-(1-pyridin-1-iumyl)-1-(1,1,2,2-tetracyanoethyl)thiourea IUPAC Name: 3-(4-methoxyphenyl)-1-pyridin-1-ium-1-yl-1-(1,1,2,2-tetracyanoethyl)thiourea Traditional Name: 3-(4-methoxyphenyl)-1-pyridin-1-ium-1-yl-1-(1,1,2,2-tetracyanoethyl)thiourea Formula: C19H14N7OS+ MolecularWeight: 388.42576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H13N7OS/c1-27-17-7-5-16(6-8-17)24-18(28)26(25-9-3-2-4-10-25)19(13-22,14-23)15(11-20)12-21/h2-10,15H,1H3/p+1