1-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone

Systemtic Name: 1-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone Openeye Name: 1-[2,5-dimethyl-1-[2-(2-thienyl)ethyl]pyrrol-3-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone CAS Name: 1-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)-3-pyrrolyl]-2-(1H-1,2,4-triazol-5-ylthio)ethanone IUPAC Name: 1-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone Traditional Name: 1-[2,5-dimethyl-1-[2-(2-thienyl)ethyl]pyrrol-3-yl]-2-(1H-1,2,4-triazol-5-ylthio)ethanone Formula: C16H18N4OS2 MolecularWeight: 346.47032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=CS2)C)C(=O)CSC3=NC=NN3

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=CS2)C)C(=O)CSC3=NC=NN3

InChI

InChI=1S/C16H18N4OS2/c1-11-8-14(15(21)9-23-16-17-10-18-19-16)12(2)20(11)6-5-13-4-3-7-22-13/h3-4,7-8,10H,5-6,9H2,1-2H3,(H,17,18,19)