2-(1,3-benzoxazol-2-ylsulfanyl)-1-[1-(3,4-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]ethanone

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[1-(3,4-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]ethanone Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[1-(3,4-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]ethanone CAS Name: 2-(1,3-benzoxazol-2-ylthio)-1-[1-(3,4-dimethylphenyl)-2,5-dimethyl-3-pyrrolyl]ethanone IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]ethanone Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-1-[1-(3,4-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]ethanone Formula: C23H22N2O2S MolecularWeight: 390.49798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=CC(=C2C)C(=O)CSC3=NC4=CC=CC=C4O3)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=CC(=C2C)C(=O)CSC3=NC4=CC=CC=C4O3)C)C

InChI

InChI=1S/C23H22N2O2S/c1-14-9-10-18(11-15(14)2)25-16(3)12-19(17(25)4)21(26)13-28-23-24-20-7-5-6-8-22(20)27-23/h5-12H,13H2,1-4H3