N-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(4-methyl-3-morpholinosulfonyl-phenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-[4-methyl-3-(4-morpholinylsulfonyl)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(4-methyl-3-morpholinosulfonyl-phenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C16H21N5O4S2 MolecularWeight: 411.49904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NN=CN2C)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NN=CN2C)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C16H21N5O4S2/c1-12-3-4-13(18-15(22)10-26-16-19-17-11-20(16)2)9-14(12)27(23,24)21-5-7-25-8-6-21/h3-4,9,11H,5-8,10H2,1-2H3,(H,18,22)