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

Systemtic Name: 3,4,5-triethoxy-N-[(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]benzamide Openeye Name: 3,4,5-triethoxy-N-[(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]benzamide CAS Name: 3,4,5-triethoxy-N-[[[3-(ethylthio)-5-methyl-1,2,4-triazol-4-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,4,5-triethoxy-N-[(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]benzamide Traditional Name: 3,4,5-triethoxy-N-[[3-(ethylthio)-5-methyl-1,2,4-triazol-4-yl]thiocarbamoyl]benzamide Formula: C19H27N5O4S2 MolecularWeight: 453.57878

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NN2C(=NN=C2SCC)C

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NN2C(=NN=C2SCC)C

InChI

InChI=1S/C19H27N5O4S2/c1-6-26-14-10-13(11-15(27-7-2)16(14)28-8-3)17(25)20-18(29)23-24-12(5)21-22-19(24)30-9-4/h10-11H,6-9H2,1-5H3,(H2,20,23,25,29)