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

Systemtic Name: 2-bromanyl-N-[(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]benzamide Openeye Name: 2-bromo-N-[(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]benzamide CAS Name: 2-bromo-N-[[[3-(ethylthio)-5-methyl-1,2,4-triazol-4-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-bromo-N-[(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]benzamide Traditional Name: 2-bromo-N-[[3-(ethylthio)-5-methyl-1,2,4-triazol-4-yl]thiocarbamoyl]benzamide Formula: C13H14BrN5OS2 MolecularWeight: 400.31716

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(N1NC(=S)NC(=O)C2=CC=CC=C2Br)C

Isomeric SMILES

CCSC1=NN=C(N1NC(=S)NC(=O)C2=CC=CC=C2Br)C

InChI

InChI=1S/C13H14BrN5OS2/c1-3-22-13-17-16-8(2)19(13)18-12(21)15-11(20)9-6-4-5-7-10(9)14/h4-7H,3H2,1-2H3,(H2,15,18,20,21)