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

Systemtic Name: 2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[(5-isopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[(5-isopropyl-1H-1,2,4-triazol-3-yl)thio]-1-pyrrolidino-ethanone Formula: C11H18N4OS MolecularWeight: 254.35182

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NN1)SCC(=O)N2CCCC2

Isomeric SMILES

CC(C)C1=NC(=NN1)SCC(=O)N2CCCC2

InChI

InChI=1S/C11H18N4OS/c1-8(2)10-12-11(14-13-10)17-7-9(16)15-5-3-4-6-15/h8H,3-7H2,1-2H3,(H,12,13,14)