2-[2-[4-[2-(3-cyano-6-cyclopropyl-pyridin-2-yl)sulfanylethanoyl]phenyl]-2-oxidanylidene-ethyl]sulfanyl-6-cyclopropyl-pyridine-3-carbonitrile

Systemtic Name: 2-[2-[4-[2-(3-cyano-6-cyclopropyl-pyridin-2-yl)sulfanylethanoyl]phenyl]-2-oxidanylidene-ethyl]sulfanyl-6-cyclopropyl-pyridine-3-carbonitrile Openeye Name: 2-[2-[4-[2-[(3-cyano-6-cyclopropyl-2-pyridyl)sulfanyl]acetyl]phenyl]-2-oxo-ethyl]sulfanyl-6-cyclopropyl-pyridine-3-carbonitrile CAS Name: 2-[[2-[4-[2-[(3-cyano-6-cyclopropyl-2-pyridinyl)thio]-1-oxoethyl]phenyl]-2-oxoethyl]thio]-6-cyclopropyl-3-pyridinecarbonitrile IUPAC Name: 2-[2-[4-[2-(3-cyano-6-cyclopropylpyridin-2-yl)sulfanylacetyl]phenyl]-2-oxoethyl]sulfanyl-6-cyclopropylpyridine-3-carbonitrile Traditional Name: 2-[[2-[4-[2-[(3-cyano-6-cyclopropyl-2-pyridyl)thio]acetyl]phenyl]-2-keto-ethyl]thio]-6-cyclopropyl-nicotinonitrile Formula: C28H22N4O2S2 MolecularWeight: 510.62988

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC(=C(C=C2)C#N)SCC(=O)C3=CC=C(C=C3)C(=O)CSC4=C(C=CC(=N4)C5CC5)C#N

Isomeric SMILES

C1CC1C2=NC(=C(C=C2)C#N)SCC(=O)C3=CC=C(C=C3)C(=O)CSC4=C(C=CC(=N4)C5CC5)C#N

InChI

InChI=1S/C28H22N4O2S2/c29-13-21-9-11-23(17-1-2-17)31-27(21)35-15-25(33)19-5-7-20(8-6-19)26(34)16-36-28-22(14-30)10-12-24(32-28)18-3-4-18/h5-12,17-18H,1-4,15-16H2