4-bromanyl-N-[2-(4-chlorophenyl)sulfanylphenyl]-3-nitro-1H-pyrazole-5-carboxamide

Systemtic Name: 4-bromanyl-N-[2-(4-chlorophenyl)sulfanylphenyl]-3-nitro-1H-pyrazole-5-carboxamide Openeye Name: 4-bromo-N-[2-(4-chlorophenyl)sulfanylphenyl]-3-nitro-1H-pyrazole-5-carboxamide CAS Name: 4-bromo-N-[2-[(4-chlorophenyl)thio]phenyl]-3-nitro-1H-pyrazole-5-carboxamide IUPAC Name: 4-bromo-N-[2-(4-chlorophenyl)sulfanylphenyl]-3-nitro-1H-pyrazole-5-carboxamide Traditional Name: 4-bromo-N-[2-[(4-chlorophenyl)thio]phenyl]-3-nitro-1H-pyrazole-5-carboxamide Formula: C16H10BrClN4O3S MolecularWeight: 453.6976

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)C2=C(C(=NN2)[N+](=O)[O-])Br)SC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)C2=C(C(=NN2)[N+](=O)[O-])Br)SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H10BrClN4O3S/c17-13-14(20-21-15(13)22(24)25)16(23)19-11-3-1-2-4-12(11)26-10-7-5-9(18)6-8-10/h1-8H,(H,19,23)(H,20,21)