2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfanyl-N-(3-nitrophenyl)ethanamide

Systemtic Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfanyl-N-(3-nitrophenyl)ethanamide Openeye Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfanyl-N-(3-nitrophenyl)acetamide CAS Name: 2-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)thio]-N-(3-nitrophenyl)acetamide IUPAC Name: 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanyl-N-(3-nitrophenyl)acetamide Traditional Name: 2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)thio]-N-(3-nitrophenyl)acetamide Formula: C19H18N4O3S MolecularWeight: 382.43622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)SCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)SCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O3S/c1-13-19(14(2)22(21-13)16-8-4-3-5-9-16)27-12-18(24)20-15-7-6-10-17(11-15)23(25)26/h3-11H,12H2,1-2H3,(H,20,24)