5-[(4-bromophenyl)sulfanylmethyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide

Systemtic Name: 5-[(4-bromophenyl)sulfanylmethyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide Openeye Name: 5-[(4-bromophenyl)sulfanylmethyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide CAS Name: 5-[[(4-bromophenyl)thio]methyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide IUPAC Name: 5-[(4-bromophenyl)sulfanylmethyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide Traditional Name: 5-[[(4-bromophenyl)thio]methyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide Formula: C17H14BrN3O2S2 MolecularWeight: 436.34596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C2=NN=C(S2)CSC3=CC=C(C=C3)Br

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C2=NN=C(S2)CSC3=CC=C(C=C3)Br

InChI

InChI=1S/C17H14BrN3O2S2/c1-23-13-6-4-12(5-7-13)19-16(22)17-21-20-15(25-17)10-24-14-8-2-11(18)3-9-14/h2-9H,10H2,1H3,(H,19,22)