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

Systemtic Name: 4-ethoxy-N-[(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)carbamothioyl]-3-nitro-benzamide Openeye Name: 4-ethoxy-N-[(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)carbamothioyl]-3-nitro-benzamide CAS Name: 4-ethoxy-N-[[[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]amino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-ethoxy-N-[(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)carbamothioyl]-3-nitrobenzamide Traditional Name: 4-ethoxy-N-[[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]thiocarbamoyl]-3-nitro-benzamide Formula: C14H16N6O4S2 MolecularWeight: 396.44464

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NN2C(=NN=C2SC)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NN2C(=NN=C2SC)C)[N+](=O)[O-]

InChI

InChI=1S/C14H16N6O4S2/c1-4-24-11-6-5-9(7-10(11)20(22)23)12(21)15-13(25)18-19-8(2)16-17-14(19)26-3/h5-7H,4H2,1-3H3,(H2,15,18,21,25)