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

Systemtic Name: 3-ethoxy-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-ethoxy-benzamide CAS Name: 3-ethoxy-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-ethoxybenzamide Traditional Name: N-[[3-(benzylthio)-5-methyl-1,2,4-triazol-4-yl]thiocarbamoyl]-3-ethoxy-benzamide Formula: C20H21N5O2S2 MolecularWeight: 427.54304

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(=O)NC(=S)NN2C(=NN=C2SCC3=CC=CC=C3)C

Isomeric SMILES

CCOC1=CC=CC(=C1)C(=O)NC(=S)NN2C(=NN=C2SCC3=CC=CC=C3)C

InChI

InChI=1S/C20H21N5O2S2/c1-3-27-17-11-7-10-16(12-17)18(26)21-19(28)24-25-14(2)22-23-20(25)29-13-15-8-5-4-6-9-15/h4-12H,3,13H2,1-2H3,(H2,21,24,26,28)