2-azanyl-4-(4-methoxyphenyl)-6-[(1R)-2-oxidanylidenecyclohexyl]sulfanyl-pyridin-1-ium-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-4-(4-methoxyphenyl)-6-[(1R)-2-oxidanylidenecyclohexyl]sulfanyl-pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-4-(4-methoxyphenyl)-6-[(1R)-2-oxocyclohexyl]sulfanyl-pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-4-(4-methoxyphenyl)-6-[[(1R)-2-oxocyclohexyl]thio]pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-4-(4-methoxyphenyl)-6-[(1R)-2-oxocyclohexyl]sulfanylpyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-6-[[(1R)-2-ketocyclohexyl]thio]-4-(4-methoxyphenyl)pyridin-1-ium-3,5-dicarbonitrile Formula: C20H19N4O2S+ MolecularWeight: 379.45546

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C(=[NH+]C(=C2C#N)SC3CCCCC3=O)N)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C(=[NH+]C(=C2C#N)S[C@@H]3CCCCC3=O)N)C#N

InChI

InChI=1S/C20H18N4O2S/c1-26-13-8-6-12(7-9-13)18-14(10-21)19(23)24-20(15(18)11-22)27-17-5-3-2-4-16(17)25/h6-9,17H,2-5H2,1H3,(H2,23,24)/p+1/t17-/m1/s1