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

Systemtic Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-[2-[(4-chlorophenyl)thio]phenyl]-1-[(2-nitrophenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-[2-[(4-chlorophenyl)thio]phenyl]-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide Formula: C23H17ClN4O4S MolecularWeight: 480.92348

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)C2=NN(C=C2)COC3=CC=CC=C3[N+](=O)[O-])SC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)C2=NN(C=C2)COC3=CC=CC=C3[N+](=O)[O-])SC4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H17ClN4O4S/c24-16-9-11-17(12-10-16)33-22-8-4-1-5-18(22)25-23(29)19-13-14-27(26-19)15-32-21-7-3-2-6-20(21)28(30)31/h1-14H,15H2,(H,25,29)