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

Systemtic Name: 3,4,5-triethoxy-N-[(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)carbamothioyl]benzamide Openeye Name: 3,4,5-triethoxy-N-[(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)carbamothioyl]benzamide CAS Name: 3,4,5-triethoxy-N-[[[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,4,5-triethoxy-N-[(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)carbamothioyl]benzamide Traditional Name: 3,4,5-triethoxy-N-[[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]thiocarbamoyl]benzamide Formula: C18H25N5O4S2 MolecularWeight: 439.5522

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NN2C(=NN=C2SC)C

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NN2C(=NN=C2SC)C

InChI

InChI=1S/C18H25N5O4S2/c1-6-25-13-9-12(10-14(26-7-2)15(13)27-8-3)16(24)19-17(28)22-23-11(4)20-21-18(23)29-5/h9-10H,6-8H2,1-5H3,(H2,19,22,24,28)