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

Systemtic Name: 5-oxidanylidene-4,4-diphenyl-2-(2-piperidin-1-ylethylsulfanyl)-1H-pyrrole-3-carbonitrile Openeye Name: 5-oxo-4,4-diphenyl-2-[2-(1-piperidyl)ethylsulfanyl]-1H-pyrrole-3-carbonitrile CAS Name: 5-oxo-4,4-diphenyl-2-[2-(1-piperidinyl)ethylthio]-1H-pyrrole-3-carbonitrile IUPAC Name: 5-oxo-4,4-diphenyl-2-(2-piperidin-1-ylethylsulfanyl)-1H-pyrrole-3-carbonitrile Traditional Name: 5-keto-4,4-diphenyl-2-(2-piperidinoethylthio)-2-pyrroline-3-carbonitrile Formula: C24H25N3OS MolecularWeight: 403.5398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25N3OS/c25-18-21-22(29-17-16-27-14-8-3-9-15-27)26-23(28)24(21,19-10-4-1-5-11-19)20-12-6-2-7-13-20/h1-2,4-7,10-13H,3,8-9,14-17H2,(H,26,28)