3-[5-(4-ethanoyl-2-nitro-phenyl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[5-(4-ethanoyl-2-nitro-phenyl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[5-(4-acetyl-2-nitro-phenyl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[5-[(4-acetyl-2-nitrophenyl)thio]-4-methyl-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[5-(4-acetyl-2-nitrophenyl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[5-[(4-acetyl-2-nitro-phenyl)thio]-4-methyl-1,2,4-triazol-3-yl]propionamide Formula: C14H15N5O4S MolecularWeight: 349.365

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)SC2=NN=C(N2C)CCC(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)SC2=NN=C(N2C)CCC(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C14H15N5O4S/c1-8(20)9-3-4-11(10(7-9)19(22)23)24-14-17-16-13(18(14)2)6-5-12(15)21/h3-4,7H,5-6H2,1-2H3,(H2,15,21)