2-butan-2-ylsulfanyl-5-oxidanylidene-4,4-diphenyl-1H-pyrrole-3-carbonitrile

Systemtic Name: 2-butan-2-ylsulfanyl-5-oxidanylidene-4,4-diphenyl-1H-pyrrole-3-carbonitrile Openeye Name: 5-oxo-4,4-diphenyl-2-sec-butylsulfanyl-1H-pyrrole-3-carbonitrile CAS Name: 2-(butan-2-ylthio)-5-oxo-4,4-diphenyl-1H-pyrrole-3-carbonitrile IUPAC Name: 2-butan-2-ylsulfanyl-5-oxo-4,4-diphenyl-1H-pyrrole-3-carbonitrile Traditional Name: 5-keto-4,4-diphenyl-2-(sec-butylthio)-2-pyrroline-3-carbonitrile Formula: C21H20N2OS MolecularWeight: 348.4613

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=C(C(C(=O)N1)(C2=CC=CC=C2)C3=CC=CC=C3)C#N

Isomeric SMILES

CCC(C)SC1=C(C(C(=O)N1)(C2=CC=CC=C2)C3=CC=CC=C3)C#N

InChI

InChI=1S/C21H20N2OS/c1-3-15(2)25-19-18(14-22)21(20(24)23-19,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,15H,3H2,1-2H3,(H,23,24)