1-[3-(dimethylamino)propyl]-2-ethylsulfanyl-5-oxidanylidene-4,4-diphenyl-pyrrole-3-carbonitrile hydrochloride

Systemtic Name: 1-[3-(dimethylamino)propyl]-2-ethylsulfanyl-5-oxidanylidene-4,4-diphenyl-pyrrole-3-carbonitrile hydrochloride Openeye Name: 1-[3-(dimethylamino)propyl]-2-ethylsulfanyl-5-oxo-4,4-diphenyl-pyrrole-3-carbonitrile hydrochloride CAS Name: 1-[3-(dimethylamino)propyl]-2-(ethylthio)-5-oxo-4,4-diphenyl-3-pyrrolecarbonitrile hydrochloride IUPAC Name: 1-[3-(dimethylamino)propyl]-2-ethylsulfanyl-5-oxo-4,4-diphenylpyrrole-3-carbonitrile hydrochloride Traditional Name: 1-[3-(dimethylamino)propyl]-2-(ethylthio)-5-keto-4,4-diphenyl-2-pyrroline-3-carbonitrile hydrochloride Formula: C24H28ClN3OS MolecularWeight: 442.01662

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C(C(=O)N1CCCN(C)C)(C2=CC=CC=C2)C3=CC=CC=C3)C#N.Cl

Isomeric SMILES

CCSC1=C(C(C(=O)N1CCCN(C)C)(C2=CC=CC=C2)C3=CC=CC=C3)C#N.Cl

InChI

InChI=1S/C24H27N3OS.ClH/c1-4-29-22-21(18-25)24(19-12-7-5-8-13-19,20-14-9-6-10-15-20)23(28)27(22)17-11-16-26(2)3;/h5-10,12-15H,4,11,16-17H2,1-3H3;1H