3-(2-butyl-4-chloranyl-5-methanoyl-imidazol-1-yl)-2-[3-methyl-2-(phenylmethylsulfanyl)phenyl]benzenecarbonitrile

Systemtic Name: 3-(2-butyl-4-chloranyl-5-methanoyl-imidazol-1-yl)-2-[3-methyl-2-(phenylmethylsulfanyl)phenyl]benzenecarbonitrile Openeye Name: 2-(2-benzylsulfanyl-3-methyl-phenyl)-3-(2-butyl-4-chloro-5-formyl-imidazol-1-yl)benzonitrile CAS Name: 3-(2-butyl-4-chloro-5-formyl-1-imidazolyl)-2-[3-methyl-2-(phenylmethylthio)phenyl]benzonitrile IUPAC Name: 2-(2-benzylsulfanyl-3-methylphenyl)-3-(2-butyl-4-chloro-5-formylimidazol-1-yl)benzonitrile Traditional Name: 2-[2-(benzylthio)-3-methyl-phenyl]-3-(2-butyl-4-chloro-5-formyl-imidazol-1-yl)benzonitrile Formula: C29H26ClN3OS MolecularWeight: 500.05424

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1C2=CC=CC(=C2C3=C(C(=CC=C3)C)SCC4=CC=CC=C4)C#N)C=O)Cl

Isomeric SMILES

CCCCC1=NC(=C(N1C2=CC=CC(=C2C3=C(C(=CC=C3)C)SCC4=CC=CC=C4)C#N)C=O)Cl

InChI

InChI=1S/C29H26ClN3OS/c1-3-4-16-26-32-29(30)25(18-34)33(26)24-15-9-13-22(17-31)27(24)23-14-8-10-20(2)28(23)35-19-21-11-6-5-7-12-21/h5-15,18H,3-4,16,19H2,1-2H3