6-(3,5-dimethylpyrazol-1-yl)-4-(4-methoxyphenyl)-2-(2-oxidanylidene-2-thiophen-2-yl-ethyl)sulfanyl-pyridine-3-carbonitrile

Systemtic Name: 6-(3,5-dimethylpyrazol-1-yl)-4-(4-methoxyphenyl)-2-(2-oxidanylidene-2-thiophen-2-yl-ethyl)sulfanyl-pyridine-3-carbonitrile Openeye Name: 6-(3,5-dimethylpyrazol-1-yl)-4-(4-methoxyphenyl)-2-[2-oxo-2-(2-thienyl)ethyl]sulfanyl-pyridine-3-carbonitrile CAS Name: 6-(3,5-dimethyl-1-pyrazolyl)-4-(4-methoxyphenyl)-2-[(2-oxo-2-thiophen-2-ylethyl)thio]-3-pyridinecarbonitrile IUPAC Name: 6-(3,5-dimethylpyrazol-1-yl)-4-(4-methoxyphenyl)-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylpyridine-3-carbonitrile Traditional Name: 6-(3,5-dimethylpyrazol-1-yl)-2-[[2-keto-2-(2-thienyl)ethyl]thio]-4-(4-methoxyphenyl)nicotinonitrile Formula: C24H20N4O2S2 MolecularWeight: 460.5712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NC(=C(C(=C2)C3=CC=C(C=C3)OC)C#N)SCC(=O)C4=CC=CS4)C

Isomeric SMILES

CC1=CC(=NN1C2=NC(=C(C(=C2)C3=CC=C(C=C3)OC)C#N)SCC(=O)C4=CC=CS4)C

InChI

InChI=1S/C24H20N4O2S2/c1-15-11-16(2)28(27-15)23-12-19(17-6-8-18(30-3)9-7-17)20(13-25)24(26-23)32-14-21(29)22-5-4-10-31-22/h4-12H,14H2,1-3H3