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

Systemtic Name: 2-[[4-(3,4-dimethylphenyl)-5-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-yl-ethanone Openeye Name: 2-[[4-(3,4-dimethylphenyl)-5-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-1-morpholino-ethanone CAS Name: 2-[[4-(3,4-dimethylphenyl)-5-phenethyl-1,2,4-triazol-3-yl]thio]-1-(4-morpholinyl)ethanone IUPAC Name: 2-[[4-(3,4-dimethylphenyl)-5-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone Traditional Name: 2-[[4-(3,4-dimethylphenyl)-5-phenethyl-1,2,4-triazol-3-yl]thio]-1-morpholino-ethanone Formula: C24H28N4O2S MolecularWeight: 436.56972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=NN=C2SCC(=O)N3CCOCC3)CCC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NN=C2SCC(=O)N3CCOCC3)CCC4=CC=CC=C4)C

InChI

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