2-[2-(3,5-dimethylpyrazol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4,6-dithiophen-2-yl-pyridine-3-carbonitrile

Systemtic Name: 2-[2-(3,5-dimethylpyrazol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4,6-dithiophen-2-yl-pyridine-3-carbonitrile Openeye Name: 2-[2-(3,5-dimethylpyrazol-1-yl)-2-oxo-ethyl]sulfanyl-4,6-bis(2-thienyl)pyridine-3-carbonitrile CAS Name: 2-[[2-(3,5-dimethyl-1-pyrazolyl)-2-oxoethyl]thio]-4,6-dithiophen-2-yl-3-pyridinecarbonitrile IUPAC Name: 2-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]sulfanyl-4,6-dithiophen-2-ylpyridine-3-carbonitrile Traditional Name: 2-[[2-(3,5-dimethylpyrazol-1-yl)-2-keto-ethyl]thio]-4,6-bis(2-thienyl)nicotinonitrile Formula: C21H16N4OS3 MolecularWeight: 436.57294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C(=O)CSC2=C(C(=CC(=N2)C3=CC=CS3)C4=CC=CS4)C#N)C

Isomeric SMILES

CC1=CC(=NN1C(=O)CSC2=C(C(=CC(=N2)C3=CC=CS3)C4=CC=CS4)C#N)C

InChI

InChI=1S/C21H16N4OS3/c1-13-9-14(2)25(24-13)20(26)12-29-21-16(11-22)15(18-5-3-7-27-18)10-17(23-21)19-6-4-8-28-19/h3-10H,12H2,1-2H3