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

Systemtic Name: 5-bromanyl-2-methoxy-N-[(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)carbamothioyl]benzamide Openeye Name: 5-bromo-2-methoxy-N-[(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)carbamothioyl]benzamide CAS Name: 5-bromo-2-methoxy-N-[[[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-methoxy-N-[(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)carbamothioyl]benzamide Traditional Name: 5-bromo-2-methoxy-N-[[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]thiocarbamoyl]benzamide Formula: C13H14BrN5O2S2 MolecularWeight: 416.31656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OC)SC

Isomeric SMILES

CC1=NN=C(N1NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OC)SC

InChI

InChI=1S/C13H14BrN5O2S2/c1-7-16-17-13(23-3)19(7)18-12(22)15-11(20)9-6-8(14)4-5-10(9)21-2/h4-6H,1-3H3,(H2,15,18,20,22)