2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)propanamide

Systemtic Name: 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)propanamide Openeye Name: 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methyl-3-morpholinosulfonyl-phenyl)propanamide CAS Name: 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)thio]-N-[4-methyl-3-(4-morpholinylsulfonyl)phenyl]propanamide IUPAC Name: 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide Traditional Name: 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)thio]-N-(4-methyl-3-morpholinosulfonyl-phenyl)propionamide Formula: C18H25N5O4S2 MolecularWeight: 439.5522

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=NN1)SC(C)C(=O)NC2=CC(=C(C=C2)C)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CCC1=NC(=NN1)SC(C)C(=O)NC2=CC(=C(C=C2)C)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C18H25N5O4S2/c1-4-16-20-18(22-21-16)28-13(3)17(24)19-14-6-5-12(2)15(11-14)29(25,26)23-7-9-27-10-8-23/h5-6,11,13H,4,7-10H2,1-3H3,(H,19,24)(H,20,21,22)