N-methyl-2-(4-nitrophenyl)sulfanyl-N-[(1-phenylpyrazol-4-yl)methyl]ethanamide

Systemtic Name: N-methyl-2-(4-nitrophenyl)sulfanyl-N-[(1-phenylpyrazol-4-yl)methyl]ethanamide Openeye Name: N-methyl-2-(4-nitrophenyl)sulfanyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide CAS Name: N-methyl-2-[(4-nitrophenyl)thio]-N-[(1-phenyl-4-pyrazolyl)methyl]acetamide IUPAC Name: N-methyl-2-(4-nitrophenyl)sulfanyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide Traditional Name: N-methyl-2-[(4-nitrophenyl)thio]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide Formula: C19H18N4O3S MolecularWeight: 382.43622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1)C2=CC=CC=C2)C(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CN(N=C1)C2=CC=CC=C2)C(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O3S/c1-21(12-15-11-20-22(13-15)16-5-3-2-4-6-16)19(24)14-27-18-9-7-17(8-10-18)23(25)26/h2-11,13H,12,14H2,1H3