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

Systemtic Name: 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-1-[1-(3,5-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]ethanone Openeye Name: 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-1-[1-(3,5-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]ethanone CAS Name: 2-(4H-3,1-benzothiazin-2-ylthio)-1-[1-(3,5-dimethylphenyl)-2,5-dimethyl-3-pyrrolyl]ethanone IUPAC Name: 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-1-[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]ethanone Traditional Name: 2-(4H-3,1-benzothiazin-2-ylthio)-1-[1-(3,5-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]ethanone Formula: C24H24N2OS2 MolecularWeight: 420.59016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=CC(=C2C)C(=O)CSC3=NC4=CC=CC=C4CS3)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=CC(=C2C)C(=O)CSC3=NC4=CC=CC=C4CS3)C)C

InChI

InChI=1S/C24H24N2OS2/c1-15-9-16(2)11-20(10-15)26-17(3)12-21(18(26)4)23(27)14-29-24-25-22-8-6-5-7-19(22)13-28-24/h5-12H,13-14H2,1-4H3