2-methylsulfanyl-5-oxidanylidene-4,4-diphenyl-1-(3-piperidin-1-ylpropyl)pyrrole-3-carbonitrile

Systemtic Name: 2-methylsulfanyl-5-oxidanylidene-4,4-diphenyl-1-(3-piperidin-1-ylpropyl)pyrrole-3-carbonitrile Openeye Name: 2-methylsulfanyl-5-oxo-4,4-diphenyl-1-[3-(1-piperidyl)propyl]pyrrole-3-carbonitrile CAS Name: 2-(methylthio)-5-oxo-4,4-diphenyl-1-[3-(1-piperidinyl)propyl]-3-pyrrolecarbonitrile IUPAC Name: 2-methylsulfanyl-5-oxo-4,4-diphenyl-1-(3-piperidin-1-ylpropyl)pyrrole-3-carbonitrile Traditional Name: 5-keto-2-(methylthio)-4,4-diphenyl-1-(3-piperidinopropyl)-2-pyrroline-3-carbonitrile Formula: C26H29N3OS MolecularWeight: 431.59296

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(C(=O)N1CCCN2CCCCC2)(C3=CC=CC=C3)C4=CC=CC=C4)C#N

Isomeric SMILES

CSC1=C(C(C(=O)N1CCCN2CCCCC2)(C3=CC=CC=C3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C26H29N3OS/c1-31-24-23(20-27)26(21-12-5-2-6-13-21,22-14-7-3-8-15-22)25(30)29(24)19-11-18-28-16-9-4-10-17-28/h2-3,5-8,12-15H,4,9-11,16-19H2,1H3