N-[5-[(3-bromophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-yl]-2-methoxy-benzamide

Systemtic Name: N-[5-[(3-bromophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-yl]-2-methoxy-benzamide Openeye Name: N-[5-[(3-bromophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-yl]-2-methoxy-benzamide CAS Name: N-[5-[[(3-bromophenyl)methylthio]methyl]-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide IUPAC Name: N-[5-[(3-bromophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide Traditional Name: N-[5-[[(3-bromobenzyl)thio]methyl]-1,3,4-thiadiazol-2-yl]-2-methoxy-benzamide Formula: C18H16BrN3O2S2 MolecularWeight: 450.37254

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC2=NN=C(S2)CSCC3=CC(=CC=C3)Br

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC2=NN=C(S2)CSCC3=CC(=CC=C3)Br

InChI

InChI=1S/C18H16BrN3O2S2/c1-24-15-8-3-2-7-14(15)17(23)20-18-22-21-16(26-18)11-25-10-12-5-4-6-13(19)9-12/h2-9H,10-11H2,1H3,(H,20,22,23)