5-bromanyl-N-[[3-ethyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]carbamothioyl]-2-methoxy-3-methyl-benzamide

Systemtic Name: 5-bromanyl-N-[[3-ethyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]carbamothioyl]-2-methoxy-3-methyl-benzamide Openeye Name: N-[(3-benzylsulfanyl-5-ethyl-1,2,4-triazol-4-yl)carbamothioyl]-5-bromo-2-methoxy-3-methyl-benzamide CAS Name: 5-bromo-N-[[[3-ethyl-5-(phenylmethylthio)-1,2,4-triazol-4-yl]amino]-sulfanylidenemethyl]-2-methoxy-3-methylbenzamide IUPAC Name: N-[(3-benzylsulfanyl-5-ethyl-1,2,4-triazol-4-yl)carbamothioyl]-5-bromo-2-methoxy-3-methylbenzamide Traditional Name: N-[[3-(benzylthio)-5-ethyl-1,2,4-triazol-4-yl]thiocarbamoyl]-5-bromo-2-methoxy-3-methyl-benzamide Formula: C21H22BrN5O2S2 MolecularWeight: 520.46568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1NC(=S)NC(=O)C2=CC(=CC(=C2OC)C)Br)SCC3=CC=CC=C3

Isomeric SMILES

CCC1=NN=C(N1NC(=S)NC(=O)C2=CC(=CC(=C2OC)C)Br)SCC3=CC=CC=C3

InChI

InChI=1S/C21H22BrN5O2S2/c1-4-17-24-25-21(31-12-14-8-6-5-7-9-14)27(17)26-20(30)23-19(28)16-11-15(22)10-13(2)18(16)29-3/h5-11H,4,12H2,1-3H3,(H2,23,26,28,30)