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

Systemtic Name: 4-bromanyl-N-[5-[(2,3-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 4-bromo-N-[5-[(2,3-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 4-bromo-N-[5-[(2,3-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 4-bromo-N-[5-[(2,3-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 4-bromo-N-[5-[(2,3-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]benzamide Formula: C18H16BrN3O2S MolecularWeight: 418.30754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16BrN3O2S/c1-11-4-3-5-15(12(11)2)24-10-16-21-22-18(25-16)20-17(23)13-6-8-14(19)9-7-13/h3-9H,10H2,1-2H3,(H,20,22,23)