2-[[4-(2-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-ynyl-ethanamide

Systemtic Name: 2-[[4-(2-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-ynyl-ethanamide Openeye Name: 2-[[5-morpholino-4-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-ynyl-acetamide CAS Name: 2-[[4-(2-methylphenyl)-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]-N-prop-2-ynylacetamide IUPAC Name: 2-[[4-(2-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-ynylacetamide Traditional Name: 2-[[5-morpholino-4-(o-tolyl)-1,2,4-triazol-3-yl]thio]-N-propargyl-acetamide Formula: C18H21N5O2S MolecularWeight: 371.45664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SCC(=O)NCC#C)N3CCOCC3

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SCC(=O)NCC#C)N3CCOCC3

InChI

InChI=1S/C18H21N5O2S/c1-3-8-19-16(24)13-26-18-21-20-17(22-9-11-25-12-10-22)23(18)15-7-5-4-6-14(15)2/h1,4-7H,8-13H2,2H3,(H,19,24)