4-[[4-(4-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]butan-2-one

Systemtic Name: 4-[[4-(4-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Openeye Name: 4-[[5-morpholino-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]butan-2-one CAS Name: 4-[[4-(4-methylphenyl)-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]-2-butanone IUPAC Name: 4-[[4-(4-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Traditional Name: 4-[[5-morpholino-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]butan-2-one Formula: C17H22N4O2S MolecularWeight: 346.44718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCCC(=O)C)N3CCOCC3

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCCC(=O)C)N3CCOCC3

InChI

InChI=1S/C17H22N4O2S/c1-13-3-5-15(6-4-13)21-16(20-8-10-23-11-9-20)18-19-17(21)24-12-7-14(2)22/h3-6H,7-12H2,1-2H3