5-[3,5-bis(chloranyl)phenyl]sulfanyl-3-methyl-4-(phenylmethoxymethyl)-1-propan-2-yl-pyrazole

Systemtic Name: 5-[3,5-bis(chloranyl)phenyl]sulfanyl-3-methyl-4-(phenylmethoxymethyl)-1-propan-2-yl-pyrazole Openeye Name: 4-(benzyloxymethyl)-5-(3,5-dichlorophenyl)sulfanyl-1-isopropyl-3-methyl-pyrazole CAS Name: 5-[(3,5-dichlorophenyl)thio]-3-methyl-4-(phenylmethoxymethyl)-1-propan-2-ylpyrazole IUPAC Name: 5-(3,5-dichlorophenyl)sulfanyl-3-methyl-4-(phenylmethoxymethyl)-1-propan-2-ylpyrazole Traditional Name: 4-(benzoxymethyl)-5-[(3,5-dichlorophenyl)thio]-1-isopropyl-3-methyl-pyrazole Formula: C21H22Cl2N2OS MolecularWeight: 421.38318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1COCC2=CC=CC=C2)SC3=CC(=CC(=C3)Cl)Cl)C(C)C

Isomeric SMILES

CC1=NN(C(=C1COCC2=CC=CC=C2)SC3=CC(=CC(=C3)Cl)Cl)C(C)C

InChI

InChI=1S/C21H22Cl2N2OS/c1-14(2)25-21(27-19-10-17(22)9-18(23)11-19)20(15(3)24-25)13-26-12-16-7-5-4-6-8-16/h4-11,14H,12-13H2,1-3H3