N-[5-[(4-bromophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-1-methoxy-naphthalene-2-carboxamide

Systemtic Name: N-[5-[(4-bromophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-1-methoxy-naphthalene-2-carboxamide Openeye Name: N-[5-[(4-bromophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-1-methoxy-naphthalene-2-carboxamide CAS Name: N-[5-[(4-bromophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-1-methoxy-2-naphthalenecarboxamide IUPAC Name: N-[5-[(4-bromophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-1-methoxynaphthalene-2-carboxamide Traditional Name: N-[5-[(4-bromobenzyl)thio]-1,3,4-thiadiazol-2-yl]-1-methoxy-2-naphthamide Formula: C21H16BrN3O2S2 MolecularWeight: 486.40464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC2=CC=CC=C21)C(=O)NC3=NN=C(S3)SCC4=CC=C(C=C4)Br

Isomeric SMILES

COC1=C(C=CC2=CC=CC=C21)C(=O)NC3=NN=C(S3)SCC4=CC=C(C=C4)Br

InChI

InChI=1S/C21H16BrN3O2S2/c1-27-18-16-5-3-2-4-14(16)8-11-17(18)19(26)23-20-24-25-21(29-20)28-12-13-6-9-15(22)10-7-13/h2-11H,12H2,1H3,(H,23,24,26)