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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1)SCC(=O)C2=CC=CN2

Isomeric SMILES

CCCC1=NC(=NN1)SCC(=O)C2=CC=CN2

InChI

InChI=1S/C11H14N4OS/c1-2-4-10-13-11(15-14-10)17-7-9(16)8-5-3-6-12-8/h3,5-6,12H,2,4,7H2,1H3,(H,13,14,15)