N-(2-methoxy-4-nitro-phenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(2-methoxy-4-nitro-phenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(2-methoxy-4-nitro-phenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(2-methoxy-4-nitrophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(2-methoxy-4-nitrophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(2-methoxy-4-nitro-phenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C12H13N5O4S MolecularWeight: 323.32772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])OC

Isomeric SMILES

CN1C=NN=C1SCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])OC

InChI

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