[1-(4-bromophenyl)-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,3-triazol-4-yl]-morpholin-4-yl-methanone

Systemtic Name: [1-(4-bromophenyl)-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,3-triazol-4-yl]-morpholin-4-yl-methanone Openeye Name: [1-(4-bromophenyl)-5-(pyrimidin-2-ylsulfanylmethyl)triazol-4-yl]-morpholino-methanone CAS Name: [1-(4-bromophenyl)-5-[(2-pyrimidinylthio)methyl]-4-triazolyl]-(4-morpholinyl)methanone IUPAC Name: [1-(4-bromophenyl)-5-(pyrimidin-2-ylsulfanylmethyl)triazol-4-yl]-morpholin-4-ylmethanone Traditional Name: [1-(4-bromophenyl)-5-[(2-pyrimidylthio)methyl]triazol-4-yl]-morpholino-methanone Formula: C18H17BrN6O2S MolecularWeight: 461.33558

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C2=C(N(N=N2)C3=CC=C(C=C3)Br)CSC4=NC=CC=N4

Isomeric SMILES

C1COCCN1C(=O)C2=C(N(N=N2)C3=CC=C(C=C3)Br)CSC4=NC=CC=N4

InChI

InChI=1S/C18H17BrN6O2S/c19-13-2-4-14(5-3-13)25-15(12-28-18-20-6-1-7-21-18)16(22-23-25)17(26)24-8-10-27-11-9-24/h1-7H,8-12H2