2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-yl-propan-1-one

Systemtic Name: 2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-yl-propan-1-one Openeye Name: 2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-yl-propan-1-one CAS Name: 2-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]-1-(1-pyrrolidinyl)-1-propanone IUPAC Name: 2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-ylpropan-1-one Traditional Name: 2-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]-1-pyrrolidino-propan-1-one Formula: C12H20N4OS MolecularWeight: 268.3784

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1)SC(C)C(=O)N2CCCC2

Isomeric SMILES

CCCC1=NC(=NN1)SC(C)C(=O)N2CCCC2

InChI

InChI=1S/C12H20N4OS/c1-3-6-10-13-12(15-14-10)18-9(2)11(17)16-7-4-5-8-16/h9H,3-8H2,1-2H3,(H,13,14,15)