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

Systemtic Name: 2-[[4-azanyl-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-yl-2-phenyl-ethanone Openeye Name: 2-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-morpholino-2-phenyl-ethanone CAS Name: 2-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]thio]-1-(4-morpholinyl)-2-phenylethanone IUPAC Name: 2-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-yl-2-phenylethanone Traditional Name: 2-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]thio]-1-morpholino-2-phenyl-ethanone Formula: C20H20ClN5O2S MolecularWeight: 429.9231

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C(C2=CC=CC=C2)SC3=NN=C(N3N)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1COCCN1C(=O)C(C2=CC=CC=C2)SC3=NN=C(N3N)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H20ClN5O2S/c21-16-8-6-15(7-9-16)18-23-24-20(26(18)22)29-17(14-4-2-1-3-5-14)19(27)25-10-12-28-13-11-25/h1-9,17H,10-13,22H2