2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(4-morpholin-4-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(4-morpholin-4-ylsulfonylphenyl)ethanamide Openeye Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(4-morpholinosulfonylphenyl)acetamide CAS Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-[4-(4-morpholinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide Traditional Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-(4-morpholinosulfonylphenyl)acetamide Formula: C22H26N6O4S2 MolecularWeight: 502.60964

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)CN3C(=NN=C3SCCC4=CC=CC=C4)N

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)CN3C(=NN=C3SCCC4=CC=CC=C4)N

InChI

InChI=1S/C22H26N6O4S2/c23-21-25-26-22(33-15-10-17-4-2-1-3-5-17)28(21)16-20(29)24-18-6-8-19(9-7-18)34(30,31)27-11-13-32-14-12-27/h1-9H,10-16H2,(H2,23,25)(H,24,29)