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

Systemtic Name: 2-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-5-morpholin-4-ylsulfonyl-phenyl)ethanamide Openeye Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-5-morpholinosulfonyl-phenyl)acetamide CAS Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-[2-methoxy-5-(4-morpholinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide Traditional Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-(2-methoxy-5-morpholinosulfonyl-phenyl)acetamide Formula: C18H24N6O5S2 MolecularWeight: 468.55036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CSC3=NN=C(N3N)C4CC4

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CSC3=NN=C(N3N)C4CC4

InChI

InChI=1S/C18H24N6O5S2/c1-28-15-5-4-13(31(26,27)23-6-8-29-9-7-23)10-14(15)20-16(25)11-30-18-22-21-17(24(18)19)12-2-3-12/h4-5,10,12H,2-3,6-9,11,19H2,1H3,(H,20,25)