2-azanyl-6-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-(2-methylpropyl)pyridin-1-ium-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-6-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-(2-methylpropyl)pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-6-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanyl-4-isobutyl-pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-6-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-4-(2-methylpropyl)pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-6-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-(2-methylpropyl)pyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-6-[[2-(4-chlorophenyl)-2-keto-ethyl]thio]-4-isobutyl-pyridin-1-ium-3,5-dicarbonitrile Formula: C19H18ClN4OS+ MolecularWeight: 385.89042

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(C(=[NH+]C(=C1C#N)SCC(=O)C2=CC=C(C=C2)Cl)N)C#N

Isomeric SMILES

CC(C)CC1=C(C(=[NH+]C(=C1C#N)SCC(=O)C2=CC=C(C=C2)Cl)N)C#N

InChI

InChI=1S/C19H17ClN4OS/c1-11(2)7-14-15(8-21)18(23)24-19(16(14)9-22)26-10-17(25)12-3-5-13(20)6-4-12/h3-6,11H,7,10H2,1-2H3,(H2,23,24)/p+1