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

Systemtic Name: 2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(1H-pyrrol-2-yl)ethanone Openeye Name: 2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(1H-pyrrol-2-yl)ethanone CAS Name: 2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]-1-(1H-pyrrol-2-yl)ethanone IUPAC Name: 2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(1H-pyrrol-2-yl)ethanone Traditional Name: 2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]-1-(1H-pyrrol-2-yl)ethanone Formula: C13H16N4OS MolecularWeight: 276.35734

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C2=CC=CN2)C3CC3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C2=CC=CN2)C3CC3

InChI

InChI=1S/C13H16N4OS/c1-2-17-12(9-5-6-9)15-16-13(17)19-8-11(18)10-4-3-7-14-10/h3-4,7,9,14H,2,5-6,8H2,1H3