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

Systemtic Name: N-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)-2-[(3-oxidanylidene-2-phenyl-1H-1,2,4-triazol-5-yl)sulfanyl]ethanamide Openeye Name: N-(4-methyl-3-morpholinosulfonyl-phenyl)-2-[(3-oxo-2-phenyl-1H-1,2,4-triazol-5-yl)sulfanyl]acetamide CAS Name: N-[4-methyl-3-(4-morpholinylsulfonyl)phenyl]-2-[(3-oxo-2-phenyl-1H-1,2,4-triazol-5-yl)thio]acetamide IUPAC Name: N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[(3-oxo-2-phenyl-1H-1,2,4-triazol-5-yl)sulfanyl]acetamide Traditional Name: 2-[(3-keto-2-phenyl-1H-1,2,4-triazol-5-yl)thio]-N-(4-methyl-3-morpholinosulfonyl-phenyl)acetamide Formula: C21H23N5O5S2 MolecularWeight: 489.56782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NC(=O)N(N2)C3=CC=CC=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NC(=O)N(N2)C3=CC=CC=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H23N5O5S2/c1-15-7-8-16(13-18(15)33(29,30)25-9-11-31-12-10-25)22-19(27)14-32-20-23-21(28)26(24-20)17-5-3-2-4-6-17/h2-8,13H,9-12,14H2,1H3,(H,22,27)(H,23,24,28)