2,6-dimethoxy-N-[[3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]carbamothioyl]benzamide

Systemtic Name: 2,6-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]-2,6-dimethoxy-benzamide CAS Name: 2,6-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]-2,6-dimethoxybenzamide Traditional Name: N-[[3-(benzylthio)-5-methyl-1,2,4-triazol-4-yl]thiocarbamoyl]-2,6-dimethoxy-benzamide Formula: C20H21N5O3S2 MolecularWeight: 443.54244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1NC(=S)NC(=O)C2=C(C=CC=C2OC)OC)SCC3=CC=CC=C3

Isomeric SMILES

CC1=NN=C(N1NC(=S)NC(=O)C2=C(C=CC=C2OC)OC)SCC3=CC=CC=C3

InChI

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