N-(4-morpholin-4-ylsulfonylphenyl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1)SC(C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CCCC1=NC(=NN1)SC(C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

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