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

Systemtic Name: 3-bromanyl-4-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-bromo-4-ethoxy-benzamide CAS Name: 3-bromo-4-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-bromo-4-ethoxybenzamide Traditional Name: N-[[3-(benzylthio)-5-methyl-1,2,4-triazol-4-yl]thiocarbamoyl]-3-bromo-4-ethoxy-benzamide Formula: C20H20BrN5O2S2 MolecularWeight: 506.4391

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20BrN5O2S2/c1-3-28-17-10-9-15(11-16(17)21)18(27)22-19(29)25-26-13(2)23-24-20(26)30-12-14-7-5-4-6-8-14/h4-11H,3,12H2,1-2H3,(H2,22,25,27,29)