S-(5-methyl-1H-1,2,4-triazol-3-yl) 2-(4-methoxy-3-nitro-phenyl)ethanethioate

Systemtic Name: S-(5-methyl-1H-1,2,4-triazol-3-yl) 2-(4-methoxy-3-nitro-phenyl)ethanethioate Openeye Name: S-(5-methyl-1H-1,2,4-triazol-3-yl) 2-(4-methoxy-3-nitro-phenyl)ethanethioate CAS Name: 2-(4-methoxy-3-nitrophenyl)ethanethioic acid S-(5-methyl-1H-1,2,4-triazol-3-yl) ester IUPAC Name: S-(5-methyl-1H-1,2,4-triazol-3-yl) 2-(4-methoxy-3-nitrophenyl)ethanethioate Traditional Name: 2-(4-methoxy-3-nitro-phenyl)ethanethioic acid S-(5-methyl-1H-1,2,4-triazol-3-yl) ester Formula: C12H12N4O4S MolecularWeight: 308.31308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1)SC(=O)CC2=CC(=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=NN1)SC(=O)CC2=CC(=C(C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C12H12N4O4S/c1-7-13-12(15-14-7)21-11(17)6-8-3-4-10(20-2)9(5-8)16(18)19/h3-5H,6H2,1-2H3,(H,13,14,15)