4-(3,4-dimethoxyphenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-6-thiophen-2-yl-pyridin-1-ium-3-carbonitrile

Systemtic Name: 4-(3,4-dimethoxyphenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-6-thiophen-2-yl-pyridin-1-ium-3-carbonitrile Openeye Name: 4-(3,4-dimethoxyphenyl)-2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]-6-(2-thienyl)pyridin-1-ium-3-carbonitrile CAS Name: 4-(3,4-dimethoxyphenyl)-2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-6-thiophen-2-yl-3-pyridin-1-iumcarbonitrile IUPAC Name: 4-(3,4-dimethoxyphenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-6-thiophen-2-ylpyridin-1-ium-3-carbonitrile Traditional Name: 4-(3,4-dimethoxyphenyl)-2-[(3,5-dimethylisoxazol-4-yl)methylthio]-6-(2-thienyl)pyridin-1-ium-3-carbonitrile Formula: C24H22N3O3S2+ MolecularWeight: 464.57978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSC2=C(C(=CC(=[NH+]2)C3=CC=CS3)C4=CC(=C(C=C4)OC)OC)C#N

Isomeric SMILES

CC1=C(C(=NO1)C)CSC2=C(C(=CC(=[NH+]2)C3=CC=CS3)C4=CC(=C(C=C4)OC)OC)C#N

InChI

InChI=1S/C24H21N3O3S2/c1-14-19(15(2)30-27-14)13-32-24-18(12-25)17(11-20(26-24)23-6-5-9-31-23)16-7-8-21(28-3)22(10-16)29-4/h5-11H,13H2,1-4H3/p+1