1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)ethanone

Systemtic Name: 1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)ethanone Openeye Name: 1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)ethanone CAS Name: 1-(2,5-dimethyl-1-phenethyl-3-pyrrolyl)-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylthio)ethanone IUPAC Name: 1-(2,5-dimethyl-1-phenethylpyrrol-3-yl)-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)ethanone Traditional Name: 1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylthio)ethanone Formula: C24H22N4OS2 MolecularWeight: 446.58768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)CSC3=NN=C4N3C5=CC=CC=C5S4

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)CSC3=NN=C4N3C5=CC=CC=C5S4

InChI

InChI=1S/C24H22N4OS2/c1-16-14-19(17(2)27(16)13-12-18-8-4-3-5-9-18)21(29)15-30-23-25-26-24-28(23)20-10-6-7-11-22(20)31-24/h3-11,14H,12-13,15H2,1-2H3