2-ethylsulfanyl-5-oxidanylidene-4,4-diphenyl-1-(2-piperidin-1-ylethyl)pyrrole-3-carbonitrile hydrochloride

Systemtic Name: 2-ethylsulfanyl-5-oxidanylidene-4,4-diphenyl-1-(2-piperidin-1-ylethyl)pyrrole-3-carbonitrile hydrochloride Openeye Name: 2-ethylsulfanyl-5-oxo-4,4-diphenyl-1-[2-(1-piperidyl)ethyl]pyrrole-3-carbonitrile hydrochloride CAS Name: 2-(ethylthio)-5-oxo-4,4-diphenyl-1-[2-(1-piperidinyl)ethyl]-3-pyrrolecarbonitrile hydrochloride IUPAC Name: 2-ethylsulfanyl-5-oxo-4,4-diphenyl-1-(2-piperidin-1-ylethyl)pyrrole-3-carbonitrile hydrochloride Traditional Name: 2-(ethylthio)-5-keto-4,4-diphenyl-1-(2-piperidinoethyl)-2-pyrroline-3-carbonitrile hydrochloride Formula: C26H30ClN3OS MolecularWeight: 468.0539

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C(C(=O)N1CCN2CCCCC2)(C3=CC=CC=C3)C4=CC=CC=C4)C#N.Cl

Isomeric SMILES

CCSC1=C(C(C(=O)N1CCN2CCCCC2)(C3=CC=CC=C3)C4=CC=CC=C4)C#N.Cl

InChI

InChI=1S/C26H29N3OS.ClH/c1-2-31-24-23(20-27)26(21-12-6-3-7-13-21,22-14-8-4-9-15-22)25(30)29(24)19-18-28-16-10-5-11-17-28;/h3-4,6-9,12-15H,2,5,10-11,16-19H2,1H3;1H