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

Systemtic Name: 3-bromanyl-4-methoxy-N-[(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)carbamothioyl]benzamide Openeye Name: 3-bromo-4-methoxy-N-[(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)carbamothioyl]benzamide CAS Name: 3-bromo-4-methoxy-N-[[[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-methoxy-N-[(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)carbamothioyl]benzamide Traditional Name: 3-bromo-4-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=CC(=C(C=C2)OC)Br)SC

Isomeric SMILES

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

InChI

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