5-oxidanylidene-2-(2-piperidin-1-ylethylsulfanyl)-4,4-dipyridin-2-yl-1H-pyrrole-3-carbonitrile

Systemtic Name: 5-oxidanylidene-2-(2-piperidin-1-ylethylsulfanyl)-4,4-dipyridin-2-yl-1H-pyrrole-3-carbonitrile Openeye Name: 5-oxo-2-[2-(1-piperidyl)ethylsulfanyl]-4,4-bis(2-pyridyl)-1H-pyrrole-3-carbonitrile CAS Name: 5-oxo-2-[2-(1-piperidinyl)ethylthio]-4,4-bis(2-pyridinyl)-1H-pyrrole-3-carbonitrile IUPAC Name: 5-oxo-2-(2-piperidin-1-ylethylsulfanyl)-4,4-dipyridin-2-yl-1H-pyrrole-3-carbonitrile Traditional Name: 5-keto-2-(2-piperidinoethylthio)-4,4-bis(2-pyridyl)-2-pyrroline-3-carbonitrile Formula: C22H23N5OS MolecularWeight: 405.51592

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCSC2=C(C(C(=O)N2)(C3=CC=CC=N3)C4=CC=CC=N4)C#N

Isomeric SMILES

C1CCN(CC1)CCSC2=C(C(C(=O)N2)(C3=CC=CC=N3)C4=CC=CC=N4)C#N

InChI

InChI=1S/C22H23N5OS/c23-16-17-20(29-15-14-27-12-6-1-7-13-27)26-21(28)22(17,18-8-2-4-10-24-18)19-9-3-5-11-25-19/h2-5,8-11H,1,6-7,12-15H2,(H,26,28)