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

Systemtic Name: N-[[3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]carbamothioyl]-3-propoxy-benzamide Openeye Name: N-[(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]-3-propoxy-benzamide CAS Name: N-[[[3-methyl-5-(phenylmethylthio)-1,2,4-triazol-4-yl]amino]-sulfanylidenemethyl]-3-propoxybenzamide IUPAC Name: N-[(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]-3-propoxybenzamide Traditional Name: N-[[3-(benzylthio)-5-methyl-1,2,4-triazol-4-yl]thiocarbamoyl]-3-propoxy-benzamide Formula: C21H23N5O2S2 MolecularWeight: 441.56962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C(=O)NC(=S)NN2C(=NN=C2SCC3=CC=CC=C3)C

Isomeric SMILES

CCCOC1=CC=CC(=C1)C(=O)NC(=S)NN2C(=NN=C2SCC3=CC=CC=C3)C

InChI

InChI=1S/C21H23N5O2S2/c1-3-12-28-18-11-7-10-17(13-18)19(27)22-20(29)25-26-15(2)23-24-21(26)30-14-16-8-5-4-6-9-16/h4-11,13H,3,12,14H2,1-2H3,(H2,22,25,27,29)