N-[5-(4-methylsulfanylphenyl)-1H-pyrazol-3-yl]-4-phenyl-piperazine-1-carboxamide

Systemtic Name: N-[5-(4-methylsulfanylphenyl)-1H-pyrazol-3-yl]-4-phenyl-piperazine-1-carboxamide Openeye Name: N-[5-(4-methylsulfanylphenyl)-1H-pyrazol-3-yl]-4-phenyl-piperazine-1-carboxamide CAS Name: N-[5-[4-(methylthio)phenyl]-1H-pyrazol-3-yl]-4-phenyl-1-piperazinecarboxamide IUPAC Name: N-[5-(4-methylsulfanylphenyl)-1H-pyrazol-3-yl]-4-phenylpiperazine-1-carboxamide Traditional Name: N-[5-[4-(methylthio)phenyl]-1H-pyrazol-3-yl]-4-phenyl-piperazine-1-carboxamide Formula: C21H23N5OS MolecularWeight: 393.50522

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=CC(=NN2)NC(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CSC1=CC=C(C=C1)C2=CC(=NN2)NC(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C21H23N5OS/c1-28-18-9-7-16(8-10-18)19-15-20(24-23-19)22-21(27)26-13-11-25(12-14-26)17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3,(H2,22,23,24,27)