4-bromanyl-N-[5-[(5-methyl-2-propan-2-yl-phenoxy)methyl]-1,3,4-thiadiazol-2-yl]benzamide

Systemtic Name: 4-bromanyl-N-[5-[(5-methyl-2-propan-2-yl-phenoxy)methyl]-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 4-bromo-N-[5-[(2-isopropyl-5-methyl-phenoxy)methyl]-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 4-bromo-N-[5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 4-bromo-N-[5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 4-bromo-N-[5-[(2-isopropyl-5-methyl-phenoxy)methyl]-1,3,4-thiadiazol-2-yl]benzamide Formula: C20H20BrN3O2S MolecularWeight: 446.3607

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCC2=NN=C(S2)NC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OCC2=NN=C(S2)NC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H20BrN3O2S/c1-12(2)16-9-4-13(3)10-17(16)26-11-18-23-24-20(27-18)22-19(25)14-5-7-15(21)8-6-14/h4-10,12H,11H2,1-3H3,(H,22,24,25)