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

Systemtic Name: 3-(4-methylphenyl)-1-pyridin-1-ium-1-yl-1-(1,2,2-tricyanoethenyl)thiourea Openeye Name: 3-(p-tolyl)-1-pyridin-1-ium-1-yl-1-(1,2,2-tricyanovinyl)thiourea CAS Name: 3-(4-methylphenyl)-1-(1-pyridin-1-iumyl)-1-(1,2,2-tricyanoethenyl)thiourea IUPAC Name: 3-(4-methylphenyl)-1-pyridin-1-ium-1-yl-1-(1,2,2-tricyanoethenyl)thiourea Traditional Name: 3-(p-tolyl)-1-pyridin-1-ium-1-yl-1-(1,2,2-tricyanovinyl)thiourea Formula: C18H13N6S+ MolecularWeight: 345.40102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)N(C(=C(C#N)C#N)C#N)[N+]2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)N(C(=C(C#N)C#N)C#N)[N+]2=CC=CC=C2

InChI

InChI=1S/C18H12N6S/c1-14-5-7-16(8-6-14)22-18(25)24(23-9-3-2-4-10-23)17(13-21)15(11-19)12-20/h2-10H,1H3/p+1