2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(1-methylpyrrol-2-yl)ethanone

Systemtic Name: 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(1-methylpyrrol-2-yl)ethanone Openeye Name: 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(1-methylpyrrol-2-yl)ethanone CAS Name: 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)thio]-1-(1-methyl-2-pyrrolyl)ethanone IUPAC Name: 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(1-methylpyrrol-2-yl)ethanone Traditional Name: 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)thio]-1-(1-methylpyrrol-2-yl)ethanone Formula: C11H14N4OS MolecularWeight: 250.32006

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=NN1)SCC(=O)C2=CC=CN2C

Isomeric SMILES

CCC1=NC(=NN1)SCC(=O)C2=CC=CN2C

InChI

InChI=1S/C11H14N4OS/c1-3-10-12-11(14-13-10)17-7-9(16)8-5-4-6-15(8)2/h4-6H,3,7H2,1-2H3,(H,12,13,14)