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

Systemtic Name: 3-bromanyl-4-ethoxy-N-[(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]benzamide Openeye Name: 3-bromo-4-ethoxy-N-[(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]benzamide CAS Name: 3-bromo-4-ethoxy-N-[[[3-(ethylthio)-5-methyl-1,2,4-triazol-4-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-ethoxy-N-[(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]benzamide Traditional Name: 3-bromo-4-ethoxy-N-[[3-(ethylthio)-5-methyl-1,2,4-triazol-4-yl]thiocarbamoyl]benzamide Formula: C15H18BrN5O2S2 MolecularWeight: 444.36972

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NN2C(=NN=C2SCC)C)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NN2C(=NN=C2SCC)C)Br

InChI

InChI=1S/C15H18BrN5O2S2/c1-4-23-12-7-6-10(8-11(12)16)13(22)17-14(24)20-21-9(3)18-19-15(21)25-5-2/h6-8H,4-5H2,1-3H3,(H2,17,20,22,24)