1-[[4-[(1-ethylpyrrolidin-2-yl)methyl]-5-methyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-one

Systemtic Name: 1-[[4-[(1-ethylpyrrolidin-2-yl)methyl]-5-methyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Openeye Name: 1-[[4-[(1-ethylpyrrolidin-2-yl)methyl]-5-methyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-one CAS Name: 1-[[4-[(1-ethyl-2-pyrrolidinyl)methyl]-5-methyl-1,2,4-triazol-3-yl]thio]-2-propanone IUPAC Name: 1-[[4-[(1-ethylpyrrolidin-2-yl)methyl]-5-methyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Traditional Name: 1-[[4-[(1-ethylpyrrolidin-2-yl)methyl]-5-methyl-1,2,4-triazol-3-yl]thio]acetone Formula: C13H22N4OS MolecularWeight: 282.40498

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC1CN2C(=NN=C2SCC(=O)C)C

Isomeric SMILES

CCN1CCCC1CN2C(=NN=C2SCC(=O)C)C

InChI

InChI=1S/C13H22N4OS/c1-4-16-7-5-6-12(16)8-17-11(3)14-15-13(17)19-9-10(2)18/h12H,4-9H2,1-3H3