5-[(4-chlorophenyl)sulfanylmethyl]-2-phenyl-1H-pyrazol-3-one

Systemtic Name: 5-[(4-chlorophenyl)sulfanylmethyl]-2-phenyl-1H-pyrazol-3-one Openeye Name: 5-[(4-chlorophenyl)sulfanylmethyl]-2-phenyl-1H-pyrazol-3-one CAS Name: 5-[[(4-chlorophenyl)thio]methyl]-2-phenyl-1H-pyrazol-3-one IUPAC Name: 5-[(4-chlorophenyl)sulfanylmethyl]-2-phenyl-1H-pyrazol-3-one Traditional Name: 5-[[(4-chlorophenyl)thio]methyl]-2-phenyl-3-pyrazolin-3-one Formula: C16H13ClN2OS MolecularWeight: 316.80522

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C=C(N2)CSC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C=C(N2)CSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H13ClN2OS/c17-12-6-8-15(9-7-12)21-11-13-10-16(20)19(18-13)14-4-2-1-3-5-14/h1-10,18H,11H2