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

Systemtic Name: 2-[[4-(4-ethoxyphenyl)-5-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[[4-(4-ethoxyphenyl)-5-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[4-(4-ethoxyphenyl)-5-phenethyl-1,2,4-triazol-3-yl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[[4-(4-ethoxyphenyl)-5-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[(5-phenethyl-4-p-phenetyl-1,2,4-triazol-3-yl)thio]-1-pyrrolidino-ethanone Formula: C24H28N4O2S MolecularWeight: 436.56972

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N3CCCC3)CCC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N3CCCC3)CCC4=CC=CC=C4

InChI

InChI=1S/C24H28N4O2S/c1-2-30-21-13-11-20(12-14-21)28-22(15-10-19-8-4-3-5-9-19)25-26-24(28)31-18-23(29)27-16-6-7-17-27/h3-5,8-9,11-14H,2,6-7,10,15-18H2,1H3