4-methylsulfonyl-N-[3-[(4-propan-2-ylphenoxy)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzamide

Systemtic Name: 4-methylsulfonyl-N-[3-[(4-propan-2-ylphenoxy)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzamide Openeye Name: N-[3-[(4-isopropylphenoxy)methyl]-5-thioxo-1H-1,2,4-triazol-4-yl]-4-methylsulfonyl-benzamide CAS Name: 4-methylsulfonyl-N-[3-[(4-propan-2-ylphenoxy)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzamide IUPAC Name: 4-methylsulfonyl-N-[3-[(4-propan-2-ylphenoxy)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzamide Traditional Name: N-[3-[(4-isopropylphenoxy)methyl]-5-thioxo-1H-1,2,4-triazol-4-yl]-4-mesyl-benzamide Formula: C20H22N4O4S2 MolecularWeight: 446.54308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)OCC2=NNC(=S)N2NC(=O)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)OCC2=NNC(=S)N2NC(=O)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C20H22N4O4S2/c1-13(2)14-4-8-16(9-5-14)28-12-18-21-22-20(29)24(18)23-19(25)15-6-10-17(11-7-15)30(3,26)27/h4-11,13H,12H2,1-3H3,(H,22,29)(H,23,25)