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

Systemtic Name: 2-azanyl-4-(4-hydroxyphenyl)-6-[(1R)-2-oxidanylidenecyclohexyl]sulfanyl-pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-4-(4-hydroxyphenyl)-6-[(1R)-2-oxocyclohexyl]sulfanyl-pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-4-(4-hydroxyphenyl)-6-[[(1R)-2-oxocyclohexyl]thio]pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-4-(4-hydroxyphenyl)-6-[(1R)-2-oxocyclohexyl]sulfanylpyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-4-(4-hydroxyphenyl)-6-[[(1R)-2-ketocyclohexyl]thio]pyridin-1-ium-3,5-dicarbonitrile Formula: C19H17N4O2S+ MolecularWeight: 365.42888

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)SC2=C(C(=C(C(=[NH+]2)N)C#N)C3=CC=C(C=C3)O)C#N

Isomeric SMILES

C1CCC(=O)[C@@H](C1)SC2=C(C(=C(C(=[NH+]2)N)C#N)C3=CC=C(C=C3)O)C#N

InChI

InChI=1S/C19H16N4O2S/c20-9-13-17(11-5-7-12(24)8-6-11)14(10-21)19(23-18(13)22)26-16-4-2-1-3-15(16)25/h5-8,16,24H,1-4H2,(H2,22,23)/p+1/t16-/m1/s1