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

Systemtic Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-[2-[(4-chlorophenyl)thio]phenyl]-1-[(4-phenylphenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-[2-[(4-chlorophenyl)thio]phenyl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide Formula: C29H22ClN3O2S MolecularWeight: 512.02188

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)OCN3C=CC(=N3)C(=O)NC4=CC=CC=C4SC5=CC=C(C=C5)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)OCN3C=CC(=N3)C(=O)NC4=CC=CC=C4SC5=CC=C(C=C5)Cl

InChI

InChI=1S/C29H22ClN3O2S/c30-23-12-16-25(17-13-23)36-28-9-5-4-8-26(28)31-29(34)27-18-19-33(32-27)20-35-24-14-10-22(11-15-24)21-6-2-1-3-7-21/h1-19H,20H2,(H,31,34)