N-(4-ethoxy-2-nitro-phenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamide

Systemtic Name: N-(4-ethoxy-2-nitro-phenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamide Openeye Name: N-(4-ethoxy-2-nitro-phenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide CAS Name: N-(4-ethoxy-2-nitrophenyl)-2-(1H-1,2,4-triazol-5-ylthio)acetamide IUPAC Name: N-(4-ethoxy-2-nitrophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide Traditional Name: N-(4-ethoxy-2-nitro-phenyl)-2-(1H-1,2,4-triazol-5-ylthio)acetamide Formula: C12H13N5O4S MolecularWeight: 323.32772

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)NC(=O)CSC2=NC=NN2)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)NC(=O)CSC2=NC=NN2)[N+](=O)[O-]

InChI

InChI=1S/C12H13N5O4S/c1-2-21-8-3-4-9(10(5-8)17(19)20)15-11(18)6-22-12-13-7-14-16-12/h3-5,7H,2,6H2,1H3,(H,15,18)(H,13,14,16)