2-(1,3-benzothiazol-2-ylsulfanyl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone CAS Name: 2-(1,3-benzothiazol-2-ylthio)-1-(1,2,5-trimethyl-3-pyrrolyl)ethanone IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Formula: C16H16N2OS2 MolecularWeight: 316.44104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C)C)C(=O)CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=CC(=C(N1C)C)C(=O)CSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C16H16N2OS2/c1-10-8-12(11(2)18(10)3)14(19)9-20-16-17-13-6-4-5-7-15(13)21-16/h4-8H,9H2,1-3H3