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

Systemtic Name: 2-[[4-butan-2-yl-5-(3-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-phenyl-ethanamide Openeye Name: N-methyl-2-[[5-(3-morpholinosulfonylphenyl)-4-sec-butyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-acetamide CAS Name: 2-[[4-butan-2-yl-5-[3-(4-morpholinylsulfonyl)phenyl]-1,2,4-triazol-3-yl]thio]-N-methyl-N-phenylacetamide IUPAC Name: 2-[[4-butan-2-yl-5-(3-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-phenylacetamide Traditional Name: N-methyl-2-[[5-(3-morpholinosulfonylphenyl)-4-sec-butyl-1,2,4-triazol-3-yl]thio]-N-phenyl-acetamide Formula: C25H31N5O4S2 MolecularWeight: 529.67474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=NN=C1SCC(=O)N(C)C2=CC=CC=C2)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CCC(C)N1C(=NN=C1SCC(=O)N(C)C2=CC=CC=C2)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C25H31N5O4S2/c1-4-19(2)30-24(20-9-8-12-22(17-20)36(32,33)29-13-15-34-16-14-29)26-27-25(30)35-18-23(31)28(3)21-10-6-5-7-11-21/h5-12,17,19H,4,13-16,18H2,1-3H3