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

Systemtic Name: 2-[[4-(3-methoxypropyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[[4-(3-methoxypropyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[4-(3-methoxypropyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[[4-(3-methoxypropyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[4-(3-methoxypropyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-1-pyrrolidino-ethanone Formula: C18H24N4O2S MolecularWeight: 360.47376

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=NN=C1SCC(=O)N2CCCC2)C3=CC=CC=C3

Isomeric SMILES

COCCCN1C(=NN=C1SCC(=O)N2CCCC2)C3=CC=CC=C3

InChI

InChI=1S/C18H24N4O2S/c1-24-13-7-12-22-17(15-8-3-2-4-9-15)19-20-18(22)25-14-16(23)21-10-5-6-11-21/h2-4,8-9H,5-7,10-14H2,1H3