3-(4-chlorophenyl)-N-(2-phenylsulfanylphenyl)-1H-pyrazole-5-carboxamide

Systemtic Name: 3-(4-chlorophenyl)-N-(2-phenylsulfanylphenyl)-1H-pyrazole-5-carboxamide Openeye Name: 3-(4-chlorophenyl)-N-(2-phenylsulfanylphenyl)-1H-pyrazole-5-carboxamide CAS Name: 3-(4-chlorophenyl)-N-[2-(phenylthio)phenyl]-1H-pyrazole-5-carboxamide IUPAC Name: 3-(4-chlorophenyl)-N-(2-phenylsulfanylphenyl)-1H-pyrazole-5-carboxamide Traditional Name: 3-(4-chlorophenyl)-N-[2-(phenylthio)phenyl]-1H-pyrazole-5-carboxamide Formula: C22H16ClN3OS MolecularWeight: 405.89994

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=CC=CC=C2NC(=O)C3=CC(=NN3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)SC2=CC=CC=C2NC(=O)C3=CC(=NN3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H16ClN3OS/c23-16-12-10-15(11-13-16)19-14-20(26-25-19)22(27)24-18-8-4-5-9-21(18)28-17-6-2-1-3-7-17/h1-14H,(H,24,27)(H,25,26)