2-(1,3-benzoxazol-2-ylsulfanyl)-1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)ethanone

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)ethanone Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)ethanone CAS Name: 2-(1,3-benzoxazol-2-ylthio)-1-(2,5-dimethyl-1-phenyl-3-pyrrolyl)ethanone IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)ethanone Formula: C21H18N2O2S MolecularWeight: 362.44482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)CSC3=NC4=CC=CC=C4O3

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)CSC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C21H18N2O2S/c1-14-12-17(15(2)23(14)16-8-4-3-5-9-16)19(24)13-26-21-22-18-10-6-7-11-20(18)25-21/h3-12H,13H2,1-2H3