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

Systemtic Name: 4-tert-butyl-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]-4-tert-butyl-benzamide CAS Name: 4-tert-butyl-N-[5-[(2-prop-2-enylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 4-tert-butyl-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]-4-tert-butyl-benzamide Formula: C23H25N3O2S MolecularWeight: 407.5285

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O2S/c1-5-8-16-9-6-7-10-19(16)28-15-20-25-26-22(29-20)24-21(27)17-11-13-18(14-12-17)23(2,3)4/h5-7,9-14H,1,8,15H2,2-4H3,(H,24,26,27)