1-[(2-chloranyl-4-nitro-phenoxy)methyl]-N-(2-phenylsulfanylphenyl)pyrazole-3-carboxamide

Systemtic Name: 1-[(2-chloranyl-4-nitro-phenoxy)methyl]-N-(2-phenylsulfanylphenyl)pyrazole-3-carboxamide Openeye Name: 1-[(2-chloro-4-nitro-phenoxy)methyl]-N-(2-phenylsulfanylphenyl)pyrazole-3-carboxamide CAS Name: 1-[(2-chloro-4-nitrophenoxy)methyl]-N-[2-(phenylthio)phenyl]-3-pyrazolecarboxamide IUPAC Name: 1-[(2-chloro-4-nitrophenoxy)methyl]-N-(2-phenylsulfanylphenyl)pyrazole-3-carboxamide Traditional Name: 1-[(2-chloro-4-nitro-phenoxy)methyl]-N-[2-(phenylthio)phenyl]pyrazole-3-carboxamide Formula: C23H17ClN4O4S MolecularWeight: 480.92348

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=CC=CC=C2NC(=O)C3=NN(C=C3)COC4=C(C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C=C1)SC2=CC=CC=C2NC(=O)C3=NN(C=C3)COC4=C(C=C(C=C4)[N+](=O)[O-])Cl

InChI

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