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

Systemtic Name: 4-ethoxy-N-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)-3-nitro-benzamide Openeye Name: 4-ethoxy-N-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)-3-nitro-benzamide CAS Name: 4-ethoxy-N-[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]-3-nitrobenzamide IUPAC Name: 4-ethoxy-N-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)-3-nitrobenzamide Traditional Name: 4-ethoxy-N-[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]-3-nitro-benzamide Formula: C13H15N5O4S MolecularWeight: 337.3543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N5O4S/c1-4-22-11-6-5-9(7-10(11)18(20)21)12(19)16-17-8(2)14-15-13(17)23-3/h5-7H,4H2,1-3H3,(H,16,19)