2-[2-(5-azanyl-3-oxidanylidene-1H-pyrazol-2-yl)-2-oxidanylidene-ethoxy]-4-(4-methylphenyl)-6-thiophen-2-yl-pyridine-3-carbonitrile

Systemtic Name: 2-[2-(5-azanyl-3-oxidanylidene-1H-pyrazol-2-yl)-2-oxidanylidene-ethoxy]-4-(4-methylphenyl)-6-thiophen-2-yl-pyridine-3-carbonitrile Openeye Name: 2-[2-(5-amino-3-oxo-1H-pyrazol-2-yl)-2-oxo-ethoxy]-4-(p-tolyl)-6-(2-thienyl)pyridine-3-carbonitrile CAS Name: 2-[2-(5-amino-3-oxo-1H-pyrazol-2-yl)-2-oxoethoxy]-4-(4-methylphenyl)-6-thiophen-2-yl-3-pyridinecarbonitrile IUPAC Name: 2-[2-(5-amino-3-oxo-1H-pyrazol-2-yl)-2-oxoethoxy]-4-(4-methylphenyl)-6-thiophen-2-ylpyridine-3-carbonitrile Traditional Name: 2-[2-(3-amino-5-keto-3-pyrazolin-1-yl)-2-keto-ethoxy]-4-(p-tolyl)-6-(2-thienyl)nicotinonitrile Formula: C22H17N5O3S MolecularWeight: 431.46708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)OCC(=O)N3C(=O)C=C(N3)N)C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)OCC(=O)N3C(=O)C=C(N3)N)C4=CC=CS4

InChI

InChI=1S/C22H17N5O3S/c1-13-4-6-14(7-5-13)15-9-17(18-3-2-8-31-18)25-22(16(15)11-23)30-12-21(29)27-20(28)10-19(24)26-27/h2-10,26H,12,24H2,1H3