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

Systemtic Name: N-(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(2-methyl-5-morpholinosulfonyl-phenyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-[2-methyl-5-(4-morpholinylsulfonyl)phenyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(2-methyl-5-morpholinosulfonyl-phenyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C21H23N5O4S2 MolecularWeight: 473.56842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CSC3=NN(C=N3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CSC3=NN(C=N3)C4=CC=CC=C4

InChI

InChI=1S/C21H23N5O4S2/c1-16-7-8-18(32(28,29)25-9-11-30-12-10-25)13-19(16)23-20(27)14-31-21-22-15-26(24-21)17-5-3-2-4-6-17/h2-8,13,15H,9-12,14H2,1H3,(H,23,27)