1-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-quinolin-2-ylsulfanyl-ethanone

Systemtic Name: 1-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-quinolin-2-ylsulfanyl-ethanone Openeye Name: 1-(2,5-dimethyl-1-thiazol-2-yl-pyrrol-3-yl)-2-(2-quinolylsulfanyl)ethanone CAS Name: 1-[2,5-dimethyl-1-(2-thiazolyl)-3-pyrrolyl]-2-(2-quinolinylthio)ethanone IUPAC Name: 1-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-quinolin-2-ylsulfanylethanone Traditional Name: 1-(2,5-dimethyl-1-thiazol-2-yl-pyrrol-3-yl)-2-(2-quinolylthio)ethanone Formula: C20H17N3OS2 MolecularWeight: 379.49848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=NC=CS2)C)C(=O)CSC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CC1=CC(=C(N1C2=NC=CS2)C)C(=O)CSC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C20H17N3OS2/c1-13-11-16(14(2)23(13)20-21-9-10-25-20)18(24)12-26-19-8-7-15-5-3-4-6-17(15)22-19/h3-11H,12H2,1-2H3