2-[(2-bromophenyl)methylsulfanyl]-N-[(E)-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)methylideneamino]ethanamide

Systemtic Name: 2-[(2-bromophenyl)methylsulfanyl]-N-[(E)-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)methylideneamino]ethanamide Openeye Name: 2-[(2-bromophenyl)methylsulfanyl]-N-[(E)-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)methyleneamino]acetamide CAS Name: 2-[(2-bromophenyl)methylthio]-N-[(E)-(2,5-dimethyl-1-phenyl-3-pyrrolyl)methylideneamino]acetamide IUPAC Name: 2-[(2-bromophenyl)methylsulfanyl]-N-[(E)-(2,5-dimethyl-1-phenylpyrrol-3-yl)methylideneamino]acetamide Traditional Name: 2-[(2-bromobenzyl)thio]-N-[(E)-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)methyleneamino]acetamide Formula: C22H22BrN3OS MolecularWeight: 456.39858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)C=NNC(=O)CSCC3=CC=CC=C3Br

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)/C=N/NC(=O)CSCC3=CC=CC=C3Br

InChI

InChI=1S/C22H22BrN3OS/c1-16-12-19(17(2)26(16)20-9-4-3-5-10-20)13-24-25-22(27)15-28-14-18-8-6-7-11-21(18)23/h3-13H,14-15H2,1-2H3,(H,25,27)/b24-13+