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

Systemtic Name: 2-[[4-(3-ethylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[[4-(3-ethylphenyl)-5-morpholino-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[4-(3-ethylphenyl)-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]-2-phenyl-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[[4-(3-ethylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[4-(3-ethylphenyl)-5-morpholino-1,2,4-triazol-3-yl]thio]-2-phenyl-1-pyrrolidino-ethanone Formula: C26H31N5O2S MolecularWeight: 477.62164

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)N2C(=NN=C2SC(C3=CC=CC=C3)C(=O)N4CCCC4)N5CCOCC5

Isomeric SMILES

CCC1=CC(=CC=C1)N2C(=NN=C2SC(C3=CC=CC=C3)C(=O)N4CCCC4)N5CCOCC5

InChI

InChI=1S/C26H31N5O2S/c1-2-20-9-8-12-22(19-20)31-25(30-15-17-33-18-16-30)27-28-26(31)34-23(21-10-4-3-5-11-21)24(32)29-13-6-7-14-29/h3-5,8-12,19,23H,2,6-7,13-18H2,1H3