N-[2-(4-chlorophenyl)sulfanylphenyl]-1-methyl-4-nitro-pyrazole-3-carboxamide

Systemtic Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-1-methyl-4-nitro-pyrazole-3-carboxamide Openeye Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-1-methyl-4-nitro-pyrazole-3-carboxamide CAS Name: N-[2-[(4-chlorophenyl)thio]phenyl]-1-methyl-4-nitro-3-pyrazolecarboxamide IUPAC Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-1-methyl-4-nitropyrazole-3-carboxamide Traditional Name: N-[2-[(4-chlorophenyl)thio]phenyl]-1-methyl-4-nitro-pyrazole-3-carboxamide Formula: C17H13ClN4O3S MolecularWeight: 388.82812

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)NC2=CC=CC=C2SC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C(=N1)C(=O)NC2=CC=CC=C2SC3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H13ClN4O3S/c1-21-10-14(22(24)25)16(20-21)17(23)19-13-4-2-3-5-15(13)26-12-8-6-11(18)7-9-12/h2-10H,1H3,(H,19,23)