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

Systemtic Name: 1-(2-diethylaminoethyl)-2-ethylsulfanyl-5-oxidanylidene-4,4-diphenyl-pyrrole-3-carbonitrile hydrochloride Openeye Name: 1-(2-diethylaminoethyl)-2-ethylsulfanyl-5-oxo-4,4-diphenyl-pyrrole-3-carbonitrile hydrochloride CAS Name: 1-(2-diethylaminoethyl)-2-(ethylthio)-5-oxo-4,4-diphenyl-3-pyrrolecarbonitrile hydrochloride IUPAC Name: 1-(2-diethylaminoethyl)-2-ethylsulfanyl-5-oxo-4,4-diphenylpyrrole-3-carbonitrile hydrochloride Traditional Name: 1-(2-diethylaminoethyl)-2-(ethylthio)-5-keto-4,4-diphenyl-2-pyrroline-3-carbonitrile hydrochloride Formula: C25H30ClN3OS MolecularWeight: 456.0432

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1C(=C(C(C1=O)(C2=CC=CC=C2)C3=CC=CC=C3)C#N)SCC.Cl

Isomeric SMILES

CCN(CC)CCN1C(=C(C(C1=O)(C2=CC=CC=C2)C3=CC=CC=C3)C#N)SCC.Cl

InChI

InChI=1S/C25H29N3OS.ClH/c1-4-27(5-2)17-18-28-23(30-6-3)22(19-26)25(24(28)29,20-13-9-7-10-14-20)21-15-11-8-12-16-21;/h7-16H,4-6,17-18H2,1-3H3;1H