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

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)ethanamide Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(5-morpholinosulfonyl-2-pyrrolidin-1-yl-phenyl)acetamide CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-[5-(4-morpholinylsulfonyl)-2-(1-pyrrolidinyl)phenyl]acetamide IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)acetamide Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-(5-morpholinosulfonyl-2-pyrrolidino-phenyl)acetamide Formula: C18H25N7O4S2 MolecularWeight: 467.5656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)CSC4=NNC(=N4)N

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)CSC4=NNC(=N4)N

InChI

InChI=1S/C18H25N7O4S2/c19-17-21-18(23-22-17)30-12-16(26)20-14-11-13(3-4-15(14)24-5-1-2-6-24)31(27,28)25-7-9-29-10-8-25/h3-4,11H,1-2,5-10,12H2,(H,20,26)(H3,19,21,22,23)