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

Systemtic Name: 2-[[4-(4-chlorophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-yl-ethanone Openeye Name: 2-[[4-(4-chlorophenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-morpholino-ethanone CAS Name: 2-[[4-(4-chlorophenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-1-(4-morpholinyl)ethanone IUPAC Name: 2-[[4-(4-chlorophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone Traditional Name: 2-[[4-(4-chlorophenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-1-morpholino-ethanone Formula: C19H18ClN5O2S MolecularWeight: 415.89652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClN5O2S/c20-15-3-5-16(6-4-15)25-18(14-2-1-7-21-12-14)22-23-19(25)28-13-17(26)24-8-10-27-11-9-24/h1-7,12H,8-11,13H2