1-adamantyl-[4-(4-bromophenyl)sulfanyl-3,5-dimethyl-pyrazol-1-yl]methanone

Systemtic Name: 1-adamantyl-[4-(4-bromophenyl)sulfanyl-3,5-dimethyl-pyrazol-1-yl]methanone Openeye Name: 1-adamantyl-[4-(4-bromophenyl)sulfanyl-3,5-dimethyl-pyrazol-1-yl]methanone CAS Name: 1-adamantyl-[4-[(4-bromophenyl)thio]-3,5-dimethyl-1-pyrazolyl]methanone IUPAC Name: 1-adamantyl-[4-(4-bromophenyl)sulfanyl-3,5-dimethylpyrazol-1-yl]methanone Traditional Name: 1-adamantyl-[4-[(4-bromophenyl)thio]-3,5-dimethyl-pyrazol-1-yl]methanone Formula: C22H25BrN2OS MolecularWeight: 445.4157

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(=O)C23CC4CC(C2)CC(C4)C3)C)SC5=CC=C(C=C5)Br

Isomeric SMILES

CC1=C(C(=NN1C(=O)C23CC4CC(C2)CC(C4)C3)C)SC5=CC=C(C=C5)Br

InChI

InChI=1S/C22H25BrN2OS/c1-13-20(27-19-5-3-18(23)4-6-19)14(2)25(24-13)21(26)22-10-15-7-16(11-22)9-17(8-15)12-22/h3-6,15-17H,7-12H2,1-2H3