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

Systemtic Name: 2-[[4-(2-methoxyethyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[[5-benzyl-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[4-(2-methoxyethyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[[5-benzyl-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[5-benzyl-4-(2-methoxyethyl)-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:

COCCN1C(=NN=C1SCC(=O)N2CCCC2)CC3=CC=CC=C3

Isomeric SMILES

COCCN1C(=NN=C1SCC(=O)N2CCCC2)CC3=CC=CC=C3

InChI

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