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

Systemtic Name: 1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone Openeye Name: 1-[2,5-dimethyl-1-(2-thienylmethyl)pyrrol-3-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone CAS Name: 1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)-3-pyrrolyl]-2-(1H-1,2,4-triazol-5-ylthio)ethanone IUPAC Name: 1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone Traditional Name: 1-[2,5-dimethyl-1-(2-thenyl)pyrrol-3-yl]-2-(1H-1,2,4-triazol-5-ylthio)ethanone Formula: C15H16N4OS2 MolecularWeight: 332.44374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)CSC3=NC=NN3

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)CSC3=NC=NN3

InChI

InChI=1S/C15H16N4OS2/c1-10-6-13(14(20)8-22-15-16-9-17-18-15)11(2)19(10)7-12-4-3-5-21-12/h3-6,9H,7-8H2,1-2H3,(H,16,17,18)