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

Systemtic Name: 2-[[4-(4-chlorophenyl)-5-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-yl-ethanone Openeye Name: 2-[[4-(4-chlorophenyl)-5-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-1-morpholino-ethanone CAS Name: 2-[[4-(4-chlorophenyl)-5-phenethyl-1,2,4-triazol-3-yl]thio]-1-(4-morpholinyl)ethanone IUPAC Name: 2-[[4-(4-chlorophenyl)-5-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone Traditional Name: 2-[[4-(4-chlorophenyl)-5-phenethyl-1,2,4-triazol-3-yl]thio]-1-morpholino-ethanone Formula: C22H23ClN4O2S MolecularWeight: 442.96162

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)CCC4=CC=CC=C4

Isomeric SMILES

C1COCCN1C(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)CCC4=CC=CC=C4

InChI

InChI=1S/C22H23ClN4O2S/c23-18-7-9-19(10-8-18)27-20(11-6-17-4-2-1-3-5-17)24-25-22(27)30-16-21(28)26-12-14-29-15-13-26/h1-5,7-10H,6,11-16H2