4-[[5-(2,5-dimethylphenoxy)-1,3,4-thiadiazol-2-yl]sulfonylmethyl]benzamide

Systemtic Name: 4-[[5-(2,5-dimethylphenoxy)-1,3,4-thiadiazol-2-yl]sulfonylmethyl]benzamide Openeye Name: 4-[[5-(2,5-dimethylphenoxy)-1,3,4-thiadiazol-2-yl]sulfonylmethyl]benzamide CAS Name: 4-[[5-(2,5-dimethylphenoxy)-1,3,4-thiadiazol-2-yl]sulfonylmethyl]benzamide IUPAC Name: 4-[[5-(2,5-dimethylphenoxy)-1,3,4-thiadiazol-2-yl]sulfonylmethyl]benzamide Traditional Name: 4-[[5-(2,5-dimethylphenoxy)-1,3,4-thiadiazol-2-yl]sulfonylmethyl]benzamide Formula: C18H17N3O4S2 MolecularWeight: 403.47528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OC2=NN=C(S2)S(=O)(=O)CC3=CC=C(C=C3)C(=O)N

Isomeric SMILES

CC1=CC(=C(C=C1)C)OC2=NN=C(S2)S(=O)(=O)CC3=CC=C(C=C3)C(=O)N

InChI

InChI=1S/C18H17N3O4S2/c1-11-3-4-12(2)15(9-11)25-17-20-21-18(26-17)27(23,24)10-13-5-7-14(8-6-13)16(19)22/h3-9H,10H2,1-2H3,(H2,19,22)