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

Systemtic Name: 5-bromanyl-2-methoxy-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]-5-bromo-2-methoxy-benzamide CAS Name: 5-bromo-2-methoxy-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]-5-bromo-2-methoxybenzamide Traditional Name: N-[[3-(benzylthio)-5-methyl-1,2,4-triazol-4-yl]thiocarbamoyl]-5-bromo-2-methoxy-benzamide Formula: C19H18BrN5O2S2 MolecularWeight: 492.41252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OC)SCC3=CC=CC=C3

Isomeric SMILES

CC1=NN=C(N1NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OC)SCC3=CC=CC=C3

InChI

InChI=1S/C19H18BrN5O2S2/c1-12-22-23-19(29-11-13-6-4-3-5-7-13)25(12)24-18(28)21-17(26)15-10-14(20)8-9-16(15)27-2/h3-10H,11H2,1-2H3,(H2,21,24,26,28)