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

Systemtic Name: 3,4,5-trimethoxy-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]-3,4,5-trimethoxy-benzamide CAS Name: 3,4,5-trimethoxy-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]-3,4,5-trimethoxybenzamide Traditional Name: N-[[3-(benzylthio)-5-methyl-1,2,4-triazol-4-yl]thiocarbamoyl]-3,4,5-trimethoxy-benzamide Formula: C21H23N5O4S2 MolecularWeight: 473.56842

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)OC)SCC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O4S2/c1-13-23-24-21(32-12-14-8-6-5-7-9-14)26(13)25-20(31)22-19(27)15-10-16(28-2)18(30-4)17(11-15)29-3/h5-11H,12H2,1-4H3,(H2,22,25,27,31)