N-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanamide

Systemtic Name: N-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanamide Openeye Name: N-(4-methyl-3-morpholinosulfonyl-phenyl)-2-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)acetamide CAS Name: N-[4-methyl-3-(4-morpholinylsulfonyl)phenyl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide IUPAC Name: N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide Traditional Name: N-(4-methyl-3-morpholinosulfonyl-phenyl)-2-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)acetamide Formula: C18H25N5O4S2 MolecularWeight: 439.5522

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NNC(=S)N1CC(=O)NC2=CC(=C(C=C2)C)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CCCC1=NNC(=S)N1CC(=O)NC2=CC(=C(C=C2)C)S(=O)(=O)N3CCOCC3

InChI

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