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

Systemtic Name: 2-(2-diethylaminoethylsulfanyl)-5-oxidanylidene-4,4-diphenyl-1H-pyrrole-3-carbonitrile Openeye Name: 2-(2-diethylaminoethylsulfanyl)-5-oxo-4,4-diphenyl-1H-pyrrole-3-carbonitrile CAS Name: 2-(2-diethylaminoethylthio)-5-oxo-4,4-diphenyl-1H-pyrrole-3-carbonitrile IUPAC Name: 2-(2-diethylaminoethylsulfanyl)-5-oxo-4,4-diphenyl-1H-pyrrole-3-carbonitrile Traditional Name: 2-(2-diethylaminoethylthio)-5-keto-4,4-diphenyl-2-pyrroline-3-carbonitrile Formula: C23H25N3OS MolecularWeight: 391.5291

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCSC1=C(C(C(=O)N1)(C2=CC=CC=C2)C3=CC=CC=C3)C#N

Isomeric SMILES

CCN(CC)CCSC1=C(C(C(=O)N1)(C2=CC=CC=C2)C3=CC=CC=C3)C#N

InChI

InChI=1S/C23H25N3OS/c1-3-26(4-2)15-16-28-21-20(17-24)23(22(27)25-21,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14H,3-4,15-16H2,1-2H3,(H,25,27)