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

Systemtic Name: 4-ethoxy-N-(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-3-nitro-benzamide Openeye Name: 4-ethoxy-N-(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-3-nitro-benzamide CAS Name: 4-ethoxy-N-[3-(ethylthio)-5-methyl-1,2,4-triazol-4-yl]-3-nitrobenzamide IUPAC Name: 4-ethoxy-N-(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-3-nitrobenzamide Traditional Name: 4-ethoxy-N-[3-(ethylthio)-5-methyl-1,2,4-triazol-4-yl]-3-nitro-benzamide Formula: C14H17N5O4S MolecularWeight: 351.38088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N5O4S/c1-4-23-12-7-6-10(8-11(12)19(21)22)13(20)17-18-9(3)15-16-14(18)24-5-2/h6-8H,4-5H2,1-3H3,(H,17,20)