2-azanyl-6-[(1S)-2-oxidanylidenecyclohexyl]sulfanyl-4-(4-propan-2-ylphenyl)pyridin-1-ium-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-6-[(1S)-2-oxidanylidenecyclohexyl]sulfanyl-4-(4-propan-2-ylphenyl)pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-4-(4-isopropylphenyl)-6-[(1S)-2-oxocyclohexyl]sulfanyl-pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-6-[[(1S)-2-oxocyclohexyl]thio]-4-(4-propan-2-ylphenyl)pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-6-[(1S)-2-oxocyclohexyl]sulfanyl-4-(4-propan-2-ylphenyl)pyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-6-[[(1S)-2-ketocyclohexyl]thio]-4-p-cumenyl-pyridin-1-ium-3,5-dicarbonitrile Formula: C22H23N4OS+ MolecularWeight: 391.50922

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=C(C(=[NH+]C(=C2C#N)SC3CCCCC3=O)N)C#N

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=C(C(=[NH+]C(=C2C#N)S[C@H]3CCCCC3=O)N)C#N

InChI

InChI=1S/C22H22N4OS/c1-13(2)14-7-9-15(10-8-14)20-16(11-23)21(25)26-22(17(20)12-24)28-19-6-4-3-5-18(19)27/h7-10,13,19H,3-6H2,1-2H3,(H2,25,26)/p+1/t19-/m0/s1