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

Systemtic Name: 3,4-dimethoxy-N-[[3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]carbamothioyl]benzamide Openeye Name: N-[(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]-3,4-dimethoxy-benzamide CAS Name: 3,4-dimethoxy-N-[[[3-methyl-5-(phenylmethylthio)-1,2,4-triazol-4-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]-3,4-dimethoxybenzamide Traditional Name: N-[[3-(benzylthio)-5-methyl-1,2,4-triazol-4-yl]thiocarbamoyl]-3,4-dimethoxy-benzamide Formula: C20H21N5O3S2 MolecularWeight: 443.54244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1NC(=S)NC(=O)C2=CC(=C(C=C2)OC)OC)SCC3=CC=CC=C3

Isomeric SMILES

CC1=NN=C(N1NC(=S)NC(=O)C2=CC(=C(C=C2)OC)OC)SCC3=CC=CC=C3

InChI

InChI=1S/C20H21N5O3S2/c1-13-22-23-20(30-12-14-7-5-4-6-8-14)25(13)24-19(29)21-18(26)15-9-10-16(27-2)17(11-15)28-3/h4-11H,12H2,1-3H3,(H2,21,24,26,29)