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

Systemtic Name: 2-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]sulfanyl-4,6-dithiophen-2-yl-pyridine-3-carbonitrile Openeye Name: 2-[2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl]sulfanyl-4,6-bis(2-thienyl)pyridine-3-carbonitrile CAS Name: 2-[[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]thio]-4,6-dithiophen-2-yl-3-pyridinecarbonitrile IUPAC Name: 2-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl-4,6-dithiophen-2-ylpyridine-3-carbonitrile Traditional Name: 2-[[2-(1,3-benzodioxol-5-yl)-2-keto-ethyl]thio]-4,6-bis(2-thienyl)nicotinonitrile Formula: C23H14N2O3S3 MolecularWeight: 462.56386

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)CSC3=C(C(=CC(=N3)C4=CC=CS4)C5=CC=CS5)C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)CSC3=C(C(=CC(=N3)C4=CC=CS4)C5=CC=CS5)C#N

InChI

InChI=1S/C23H14N2O3S3/c24-11-16-15(21-3-1-7-29-21)10-17(22-4-2-8-30-22)25-23(16)31-12-18(26)14-5-6-19-20(9-14)28-13-27-19/h1-10H,12-13H2