3,4-dimethyl-N-[5-[(2-prop-2-enylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]benzamide

Systemtic Name: 3,4-dimethyl-N-[5-[(2-prop-2-enylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: N-[5-[(2-allylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]-3,4-dimethyl-benzamide CAS Name: 3,4-dimethyl-N-[5-[(2-prop-2-enylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 3,4-dimethyl-N-[5-[(2-prop-2-enylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: N-[5-[(2-allylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]-3,4-dimethyl-benzamide Formula: C21H21N3O2S MolecularWeight: 379.47534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)COC3=CC=CC=C3CC=C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)COC3=CC=CC=C3CC=C)C

InChI

InChI=1S/C21H21N3O2S/c1-4-7-16-8-5-6-9-18(16)26-13-19-23-24-21(27-19)22-20(25)17-11-10-14(2)15(3)12-17/h4-6,8-12H,1,7,13H2,2-3H3,(H,22,24,25)