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

Systemtic Name: [1-(1H-imidazol-5-ylmethyl)-4-naphthalen-1-yl-pyrrol-3-yl]-[4-(2-methylsulfanylethoxy)phenyl]methanone Openeye Name: [1-(1H-imidazol-5-ylmethyl)-4-(1-naphthyl)pyrrol-3-yl]-[4-(2-methylsulfanylethoxy)phenyl]methanone CAS Name: [1-(1H-imidazol-5-ylmethyl)-4-(1-naphthalenyl)-3-pyrrolyl]-[4-[2-(methylthio)ethoxy]phenyl]methanone IUPAC Name: [1-(1H-imidazol-5-ylmethyl)-4-naphthalen-1-ylpyrrol-3-yl]-[4-(2-methylsulfanylethoxy)phenyl]methanone Traditional Name: [1-(1H-imidazol-5-ylmethyl)-4-(1-naphthyl)pyrrol-3-yl]-[4-[2-(methylthio)ethoxy]phenyl]methanone Formula: C28H25N3O2S MolecularWeight: 467.582

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Descriptors Computed from Structure

Canonical SMILES:

CSCCOC1=CC=C(C=C1)C(=O)C2=CN(C=C2C3=CC=CC4=CC=CC=C43)CC5=CN=CN5

Isomeric SMILES

CSCCOC1=CC=C(C=C1)C(=O)C2=CN(C=C2C3=CC=CC4=CC=CC=C43)CC5=CN=CN5

InChI

InChI=1S/C28H25N3O2S/c1-34-14-13-33-23-11-9-21(10-12-23)28(32)27-18-31(16-22-15-29-19-30-22)17-26(27)25-8-4-6-20-5-2-3-7-24(20)25/h2-12,15,17-19H,13-14,16H2,1H3,(H,29,30)