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

Systemtic Name: 2-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)thio]-1-pyrrolidino-ethanone Formula: C17H22N4OS MolecularWeight: 330.44778

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)N2CCCC2)CCC3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)N2CCCC2)CCC3=CC=CC=C3

InChI

InChI=1S/C17H22N4OS/c1-20-15(10-9-14-7-3-2-4-8-14)18-19-17(20)23-13-16(22)21-11-5-6-12-21/h2-4,7-8H,5-6,9-13H2,1H3