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

Systemtic Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-morpholin-4-ylsulfonylphenyl)ethanamide Openeye Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-morpholinosulfonylphenyl)acetamide CAS Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-N-[3-(4-morpholinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide Traditional Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-N-(3-morpholinosulfonylphenyl)acetamide Formula: C23H25N5O4S2 MolecularWeight: 499.6057

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC(=CC=C4)S(=O)(=O)N5CCOCC5

Isomeric SMILES

C1CC1C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC(=CC=C4)S(=O)(=O)N5CCOCC5

InChI

InChI=1S/C23H25N5O4S2/c29-21(24-18-5-4-8-20(15-18)34(30,31)27-11-13-32-14-12-27)16-33-23-26-25-22(17-9-10-17)28(23)19-6-2-1-3-7-19/h1-8,15,17H,9-14,16H2,(H,24,29)