1-[5-[4-(4-chlorophenyl)sulfanyl-1-phenyl-pyrazol-3-yl]pyrazin-2-yl]ethanone

Systemtic Name: 1-[5-[4-(4-chlorophenyl)sulfanyl-1-phenyl-pyrazol-3-yl]pyrazin-2-yl]ethanone Openeye Name: 1-[5-[4-(4-chlorophenyl)sulfanyl-1-phenyl-pyrazol-3-yl]pyrazin-2-yl]ethanone CAS Name: 1-[5-[4-[(4-chlorophenyl)thio]-1-phenyl-3-pyrazolyl]-2-pyrazinyl]ethanone IUPAC Name: 1-[5-[4-(4-chlorophenyl)sulfanyl-1-phenylpyrazol-3-yl]pyrazin-2-yl]ethanone Traditional Name: 1-[5-[4-[(4-chlorophenyl)thio]-1-phenyl-pyrazol-3-yl]pyrazin-2-yl]ethanone Formula: C21H15ClN4OS MolecularWeight: 406.888

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=NC=C(N=C1)C2=NN(C=C2SC3=CC=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

CC(=O)C1=NC=C(N=C1)C2=NN(C=C2SC3=CC=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C21H15ClN4OS/c1-14(27)18-11-24-19(12-23-18)21-20(28-17-9-7-15(22)8-10-17)13-26(25-21)16-5-3-2-4-6-16/h2-13H,1H3