[1-(1H-imidazol-5-ylmethyl)-4-naphthalen-1-yl-pyrrol-3-yl]-[4-(2-methylsulfanylethyl)phenyl]methanone

Systemtic Name: [1-(1H-imidazol-5-ylmethyl)-4-naphthalen-1-yl-pyrrol-3-yl]-[4-(2-methylsulfanylethyl)phenyl]methanone Openeye Name: [1-(1H-imidazol-5-ylmethyl)-4-(1-naphthyl)pyrrol-3-yl]-[4-(2-methylsulfanylethyl)phenyl]methanone CAS Name: [1-(1H-imidazol-5-ylmethyl)-4-(1-naphthalenyl)-3-pyrrolyl]-[4-[2-(methylthio)ethyl]phenyl]methanone IUPAC Name: [1-(1H-imidazol-5-ylmethyl)-4-naphthalen-1-ylpyrrol-3-yl]-[4-(2-methylsulfanylethyl)phenyl]methanone Traditional Name: [1-(1H-imidazol-5-ylmethyl)-4-(1-naphthyl)pyrrol-3-yl]-[4-[2-(methylthio)ethyl]phenyl]methanone Formula: C28H25N3OS MolecularWeight: 451.5826

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC1=CC=C(C=C1)C(=O)C2=CN(C=C2C3=CC=CC4=CC=CC=C43)CC5=CN=CN5

Isomeric SMILES

CSCCC1=CC=C(C=C1)C(=O)C2=CN(C=C2C3=CC=CC4=CC=CC=C43)CC5=CN=CN5

InChI

InChI=1S/C28H25N3OS/c1-33-14-13-20-9-11-22(12-10-20)28(32)27-18-31(16-23-15-29-19-30-23)17-26(27)25-8-4-6-21-5-2-3-7-24(21)25/h2-12,15,17-19H,13-14,16H2,1H3,(H,29,30)