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

Systemtic Name: N-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(4-methyl-3-morpholinosulfonyl-phenyl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-[4-methyl-3-(4-morpholinylsulfonyl)phenyl]-2-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(4-methyl-3-morpholinosulfonyl-phenyl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]propionamide Formula: C19H27N5O4S2 MolecularWeight: 453.57878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N5O4S2/c1-4-5-17-21-19(23-22-17)29-14(3)18(25)20-15-7-6-13(2)16(12-15)30(26,27)24-8-10-28-11-9-24/h6-7,12,14H,4-5,8-11H2,1-3H3,(H,20,25)(H,21,22,23)