N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(5-methyl-3,4-dinitro-pyrazol-1-yl)ethanamide

Systemtic Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(5-methyl-3,4-dinitro-pyrazol-1-yl)ethanamide Openeye Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(5-methyl-3,4-dinitro-pyrazol-1-yl)acetamide CAS Name: N-[2-[(4-chlorophenyl)thio]phenyl]-2-(5-methyl-3,4-dinitro-1-pyrazolyl)acetamide IUPAC Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(5-methyl-3,4-dinitropyrazol-1-yl)acetamide Traditional Name: N-[2-[(4-chlorophenyl)thio]phenyl]-2-(5-methyl-3,4-dinitro-pyrazol-1-yl)acetamide Formula: C18H14ClN5O5S MolecularWeight: 447.85226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NC2=CC=CC=C2SC3=CC=C(C=C3)Cl)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NC2=CC=CC=C2SC3=CC=C(C=C3)Cl)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H14ClN5O5S/c1-11-17(23(26)27)18(24(28)29)21-22(11)10-16(25)20-14-4-2-3-5-15(14)30-13-8-6-12(19)7-9-13/h2-9H,10H2,1H3,(H,20,25)