3-(4-morpholin-4-ylsulfonylphenyl)-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-(4-morpholin-4-ylsulfonylphenyl)-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-(4-morpholinosulfonylphenyl)-4-(tetrahydrofuran-2-ylmethyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-[4-(4-morpholinylsulfonyl)phenyl]-4-(2-oxolanylmethyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(4-morpholin-4-ylsulfonylphenyl)-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-(4-morpholinosulfonylphenyl)-4-(tetrahydrofurfuryl)-1H-1,2,4-triazole-5-thione Formula: C17H22N4O4S2 MolecularWeight: 410.51098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=NNC2=S)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

C1CC(OC1)CN2C(=NNC2=S)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C17H22N4O4S2/c22-27(23,20-7-10-24-11-8-20)15-5-3-13(4-6-15)16-18-19-17(26)21(16)12-14-2-1-9-25-14/h3-6,14H,1-2,7-12H2,(H,19,26)