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

Systemtic Name: [1-(4-methylphenyl)-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,3-triazol-4-yl]-morpholin-4-yl-methanone Openeye Name: morpholino-[1-(p-tolyl)-5-(pyrimidin-2-ylsulfanylmethyl)triazol-4-yl]methanone CAS Name: [1-(4-methylphenyl)-5-[(2-pyrimidinylthio)methyl]-4-triazolyl]-(4-morpholinyl)methanone IUPAC Name: [1-(4-methylphenyl)-5-(pyrimidin-2-ylsulfanylmethyl)triazol-4-yl]-morpholin-4-ylmethanone Traditional Name: morpholino-[1-(p-tolyl)-5-[(2-pyrimidylthio)methyl]triazol-4-yl]methanone Formula: C19H20N6O2S MolecularWeight: 396.4661

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(N=N2)C(=O)N3CCOCC3)CSC4=NC=CC=N4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(N=N2)C(=O)N3CCOCC3)CSC4=NC=CC=N4

InChI

InChI=1S/C19H20N6O2S/c1-14-3-5-15(6-4-14)25-16(13-28-19-20-7-2-8-21-19)17(22-23-25)18(26)24-9-11-27-12-10-24/h2-8H,9-13H2,1H3