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

Systemtic Name: 2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-yl-ethanone Openeye Name: 2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-morpholino-ethanone CAS Name: 2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-1-(4-morpholinyl)ethanone IUPAC Name: 2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone Traditional Name: 2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-1-morpholino-ethanone Formula: C14H15BrN4O2S MolecularWeight: 383.2635

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)CSC2=NNC(=N2)C3=CC=C(C=C3)Br

Isomeric SMILES

C1COCCN1C(=O)CSC2=NNC(=N2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C14H15BrN4O2S/c15-11-3-1-10(2-4-11)13-16-14(18-17-13)22-9-12(20)19-5-7-21-8-6-19/h1-4H,5-9H2,(H,16,17,18)