1-[1-(3-methoxypropyl)-2,5-dimethyl-pyrrol-3-yl]-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]ethanone

Systemtic Name: 1-[1-(3-methoxypropyl)-2,5-dimethyl-pyrrol-3-yl]-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]ethanone Openeye Name: 1-[1-(3-methoxypropyl)-2,5-dimethyl-pyrrol-3-yl]-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]ethanone CAS Name: 1-[1-(3-methoxypropyl)-2,5-dimethyl-3-pyrrolyl]-2-[(5-phenyl-1H-imidazol-2-yl)thio]ethanone IUPAC Name: 1-[1-(3-methoxypropyl)-2,5-dimethylpyrrol-3-yl]-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]ethanone Traditional Name: 1-[1-(3-methoxypropyl)-2,5-dimethyl-pyrrol-3-yl]-2-[(5-phenyl-1H-imidazol-2-yl)thio]ethanone Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCCOC)C)C(=O)CSC2=NC=C(N2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(N1CCCOC)C)C(=O)CSC2=NC=C(N2)C3=CC=CC=C3

InChI

InChI=1S/C21H25N3O2S/c1-15-12-18(16(2)24(15)10-7-11-26-3)20(25)14-27-21-22-13-19(23-21)17-8-5-4-6-9-17/h4-6,8-9,12-13H,7,10-11,14H2,1-3H3,(H,22,23)