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

Systemtic Name: 4-ethoxy-N-[(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]-3-nitro-benzamide Openeye Name: 4-ethoxy-N-[(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]-3-nitro-benzamide CAS Name: 4-ethoxy-N-[[[3-(ethylthio)-5-methyl-1,2,4-triazol-4-yl]amino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-ethoxy-N-[(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]-3-nitrobenzamide Traditional Name: 4-ethoxy-N-[[3-(ethylthio)-5-methyl-1,2,4-triazol-4-yl]thiocarbamoyl]-3-nitro-benzamide Formula: C15H18N6O4S2 MolecularWeight: 410.47122

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NN2C(=NN=C2SCC)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NN2C(=NN=C2SCC)C)[N+](=O)[O-]

InChI

InChI=1S/C15H18N6O4S2/c1-4-25-12-7-6-10(8-11(12)21(23)24)13(22)16-14(26)19-20-9(3)17-18-15(20)27-5-2/h6-8H,4-5H2,1-3H3,(H2,16,19,22,26)