N-[1-[5-[(4-bromophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]-2-oxidanyl-ethyl]-3-methoxy-benzamide

Systemtic Name: N-[1-[5-[(4-bromophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]-2-oxidanyl-ethyl]-3-methoxy-benzamide Openeye Name: N-[1-[5-[(4-bromophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]-2-hydroxy-ethyl]-3-methoxy-benzamide CAS Name: N-[1-[5-[(4-bromophenyl)methylthio]-4-ethyl-1,2,4-triazol-3-yl]-2-hydroxyethyl]-3-methoxybenzamide IUPAC Name: N-[1-[5-[(4-bromophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]-2-hydroxyethyl]-3-methoxybenzamide Traditional Name: N-[1-[5-[(4-bromobenzyl)thio]-4-ethyl-1,2,4-triazol-3-yl]-2-hydroxy-ethyl]-3-methoxy-benzamide Formula: C21H23BrN4O3S MolecularWeight: 491.40132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=C(C=C2)Br)C(CO)NC(=O)C3=CC(=CC=C3)OC

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=C(C=C2)Br)C(CO)NC(=O)C3=CC(=CC=C3)OC

InChI

InChI=1S/C21H23BrN4O3S/c1-3-26-19(24-25-21(26)30-13-14-7-9-16(22)10-8-14)18(12-27)23-20(28)15-5-4-6-17(11-15)29-2/h4-11,18,27H,3,12-13H2,1-2H3,(H,23,28)