2-[5-chloranyl-1-[4-(3-chlorophenyl)phenyl]-3-ethyl-pyrazol-4-yl]ethanethioic S-acid

Systemtic Name: 2-[5-chloranyl-1-[4-(3-chlorophenyl)phenyl]-3-ethyl-pyrazol-4-yl]ethanethioic S-acid Openeye Name: 2-[5-chloro-1-[4-(3-chlorophenyl)phenyl]-3-ethyl-pyrazol-4-yl]ethanethioic S-acid CAS Name: 2-[5-chloro-1-[4-(3-chlorophenyl)phenyl]-3-ethyl-4-pyrazolyl]ethanethioic S-acid IUPAC Name: 2-[5-chloro-1-[4-(3-chlorophenyl)phenyl]-3-ethylpyrazol-4-yl]ethanethioic S-acid Traditional Name: 2-[5-chloro-1-[4-(3-chlorophenyl)phenyl]-3-ethyl-pyrazol-4-yl]thioacetic acid Formula: C19H16Cl2N2OS MolecularWeight: 391.31414

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C1CC(=O)S)Cl)C2=CC=C(C=C2)C3=CC(=CC=C3)Cl

Isomeric SMILES

CCC1=NN(C(=C1CC(=O)S)Cl)C2=CC=C(C=C2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C19H16Cl2N2OS/c1-2-17-16(11-18(24)25)19(21)23(22-17)15-8-6-12(7-9-15)13-4-3-5-14(20)10-13/h3-10H,2,11H2,1H3,(H,24,25)