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

Systemtic Name: 5-[3,5-bis(chloranyl)phenyl]sulfanyl-1-butan-2-yl-3-methyl-4-(phenylmethyl)pyrazole Openeye Name: 4-benzyl-5-(3,5-dichlorophenyl)sulfanyl-3-methyl-1-sec-butyl-pyrazole CAS Name: 1-butan-2-yl-5-[(3,5-dichlorophenyl)thio]-3-methyl-4-(phenylmethyl)pyrazole IUPAC Name: 4-benzyl-1-butan-2-yl-5-(3,5-dichlorophenyl)sulfanyl-3-methylpyrazole Traditional Name: 4-benzyl-5-[(3,5-dichlorophenyl)thio]-3-methyl-1-sec-butyl-pyrazole Formula: C21H22Cl2N2S MolecularWeight: 405.38378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=C(C(=N1)C)CC2=CC=CC=C2)SC3=CC(=CC(=C3)Cl)Cl

Isomeric SMILES

CCC(C)N1C(=C(C(=N1)C)CC2=CC=CC=C2)SC3=CC(=CC(=C3)Cl)Cl

InChI

InChI=1S/C21H22Cl2N2S/c1-4-14(2)25-21(26-19-12-17(22)11-18(23)13-19)20(15(3)24-25)10-16-8-6-5-7-9-16/h5-9,11-14H,4,10H2,1-3H3