4-[4-(3-but-3-enyl-2-oxidanylidene-imidazolidin-1-yl)-3-methylsulfanyl-phenyl]benzenecarbonitrile

Systemtic Name: 4-[4-(3-but-3-enyl-2-oxidanylidene-imidazolidin-1-yl)-3-methylsulfanyl-phenyl]benzenecarbonitrile Openeye Name: 4-[4-(3-but-3-enyl-2-oxo-imidazolidin-1-yl)-3-methylsulfanyl-phenyl]benzonitrile CAS Name: 4-[4-(3-but-3-enyl-2-oxo-1-imidazolidinyl)-3-(methylthio)phenyl]benzonitrile IUPAC Name: 4-[4-(3-but-3-enyl-2-oxoimidazolidin-1-yl)-3-methylsulfanylphenyl]benzonitrile Traditional Name: 4-[4-(3-but-3-enyl-2-keto-imidazolidin-1-yl)-3-(methylthio)phenyl]benzonitrile Formula: C21H21N3OS MolecularWeight: 363.47594

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC(=C1)C2=CC=C(C=C2)C#N)N3CCN(C3=O)CCC=C

Isomeric SMILES

CSC1=C(C=CC(=C1)C2=CC=C(C=C2)C#N)N3CCN(C3=O)CCC=C

InChI

InChI=1S/C21H21N3OS/c1-3-4-11-23-12-13-24(21(23)25)19-10-9-18(14-20(19)26-2)17-7-5-16(15-22)6-8-17/h3,5-10,14H,1,4,11-13H2,2H3