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

Systemtic Name: 2-[[4-(4-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: 2-[[5-morpholino-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: 2-[[4-(4-methylphenyl)-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: 2-[[4-(4-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: 2-[[5-morpholino-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C16H21N5O2S MolecularWeight: 347.43524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SC(C)C(=O)N)N3CCOCC3

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SC(C)C(=O)N)N3CCOCC3

InChI

InChI=1S/C16H21N5O2S/c1-11-3-5-13(6-4-11)21-15(20-7-9-23-10-8-20)18-19-16(21)24-12(2)14(17)22/h3-6,12H,7-10H2,1-2H3,(H2,17,22)