N-[2-(4-chlorophenyl)sulfanylphenyl]-2,5-dimethyl-4-nitro-pyrazole-3-carboxamide

Systemtic Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-2,5-dimethyl-4-nitro-pyrazole-3-carboxamide Openeye Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-2,5-dimethyl-4-nitro-pyrazole-3-carboxamide CAS Name: N-[2-[(4-chlorophenyl)thio]phenyl]-2,5-dimethyl-4-nitro-3-pyrazolecarboxamide IUPAC Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-2,5-dimethyl-4-nitropyrazole-3-carboxamide Traditional Name: N-[2-[(4-chlorophenyl)thio]phenyl]-2,5-dimethyl-4-nitro-pyrazole-3-carboxamide Formula: C18H15ClN4O3S MolecularWeight: 402.8547

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1[N+](=O)[O-])C(=O)NC2=CC=CC=C2SC3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC1=NN(C(=C1[N+](=O)[O-])C(=O)NC2=CC=CC=C2SC3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C18H15ClN4O3S/c1-11-16(23(25)26)17(22(2)21-11)18(24)20-14-5-3-4-6-15(14)27-13-9-7-12(19)8-10-13/h3-10H,1-2H3,(H,20,24)