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

Systemtic Name: 4-[[4-(2-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-thiophen-2-yl-butan-1-one Openeye Name: 4-[[5-morpholino-4-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2-thienyl)butan-1-one CAS Name: 4-[[4-(2-methylphenyl)-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]-1-thiophen-2-yl-1-butanone IUPAC Name: 4-[[4-(2-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-thiophen-2-ylbutan-1-one Traditional Name: 4-[[5-morpholino-4-(o-tolyl)-1,2,4-triazol-3-yl]thio]-1-(2-thienyl)butan-1-one Formula: C21H24N4O2S2 MolecularWeight: 428.57086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SCCCC(=O)C3=CC=CS3)N4CCOCC4

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SCCCC(=O)C3=CC=CS3)N4CCOCC4

InChI

InChI=1S/C21H24N4O2S2/c1-16-6-2-3-7-17(16)25-20(24-10-12-27-13-11-24)22-23-21(25)29-15-4-8-18(26)19-9-5-14-28-19/h2-3,5-7,9,14H,4,8,10-13,15H2,1H3