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

Systemtic Name: 2-[3-bromanyl-4-methyl-2-(phenylmethylsulfanyl)phenyl]-3-(2-butyl-4-chloranyl-5-methanoyl-imidazol-1-yl)benzenecarbonitrile Openeye Name: 2-(2-benzylsulfanyl-3-bromo-4-methyl-phenyl)-3-(2-butyl-4-chloro-5-formyl-imidazol-1-yl)benzonitrile CAS Name: 2-[3-bromo-4-methyl-2-(phenylmethylthio)phenyl]-3-(2-butyl-4-chloro-5-formyl-1-imidazolyl)benzonitrile IUPAC Name: 2-(2-benzylsulfanyl-3-bromo-4-methylphenyl)-3-(2-butyl-4-chloro-5-formylimidazol-1-yl)benzonitrile Traditional Name: 2-[2-(benzylthio)-3-bromo-4-methyl-phenyl]-3-(2-butyl-4-chloro-5-formyl-imidazol-1-yl)benzonitrile Formula: C29H25BrClN3OS MolecularWeight: 578.9503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H25BrClN3OS/c1-3-4-13-25-33-29(31)24(17-35)34(25)23-12-8-11-21(16-32)26(23)22-15-14-19(2)27(30)28(22)36-18-20-9-6-5-7-10-20/h5-12,14-15,17H,3-4,13,18H2,1-2H3