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

Systemtic Name: 2-[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-pyrrolidino-ethanone Formula: C16H20N4O2S MolecularWeight: 332.4206

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=NN=C(N1C2=CC=CC=C2)SCC(=O)N3CCCC3

Isomeric SMILES

COCC1=NN=C(N1C2=CC=CC=C2)SCC(=O)N3CCCC3

InChI

InChI=1S/C16H20N4O2S/c1-22-11-14-17-18-16(20(14)13-7-3-2-4-8-13)23-12-15(21)19-9-5-6-10-19/h2-4,7-8H,5-6,9-12H2,1H3