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

Systemtic Name: 1-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-phenylsulfanyl-ethanone Openeye Name: 1-(2,5-dimethyl-1-thiazol-2-yl-pyrrol-3-yl)-2-phenylsulfanyl-ethanone CAS Name: 1-[2,5-dimethyl-1-(2-thiazolyl)-3-pyrrolyl]-2-(phenylthio)ethanone IUPAC Name: 1-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-phenylsulfanylethanone Traditional Name: 1-(2,5-dimethyl-1-thiazol-2-yl-pyrrol-3-yl)-2-(phenylthio)ethanone Formula: C17H16N2OS2 MolecularWeight: 328.45174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2OS2/c1-12-10-15(13(2)19(12)17-18-8-9-21-17)16(20)11-22-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3