5-[3,5-bis(chloranyl)phenyl]sulfanyl-3-(methoxymethyl)-4-phenethyl-1-phenyl-pyrazole

Systemtic Name: 5-[3,5-bis(chloranyl)phenyl]sulfanyl-3-(methoxymethyl)-4-phenethyl-1-phenyl-pyrazole Openeye Name: 5-(3,5-dichlorophenyl)sulfanyl-3-(methoxymethyl)-4-phenethyl-1-phenyl-pyrazole CAS Name: 5-[(3,5-dichlorophenyl)thio]-3-(methoxymethyl)-4-phenethyl-1-phenylpyrazole IUPAC Name: 5-(3,5-dichlorophenyl)sulfanyl-3-(methoxymethyl)-4-phenethyl-1-phenylpyrazole Traditional Name: 5-[(3,5-dichlorophenyl)thio]-3-(methoxymethyl)-4-phenethyl-1-phenyl-pyrazole Formula: C25H22Cl2N2OS MolecularWeight: 469.42598

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=NN(C(=C1CCC2=CC=CC=C2)SC3=CC(=CC(=C3)Cl)Cl)C4=CC=CC=C4

Isomeric SMILES

COCC1=NN(C(=C1CCC2=CC=CC=C2)SC3=CC(=CC(=C3)Cl)Cl)C4=CC=CC=C4

InChI

InChI=1S/C25H22Cl2N2OS/c1-30-17-24-23(13-12-18-8-4-2-5-9-18)25(29(28-24)21-10-6-3-7-11-21)31-22-15-19(26)14-20(27)16-22/h2-11,14-16H,12-13,17H2,1H3