2-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methylsulfanyl]-4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazole

Systemtic Name: 2-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methylsulfanyl]-4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazole Openeye Name: 2-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methylsulfanyl]-4,5-dimethyl-1-(tetrahydrofuran-2-ylmethyl)imidazole CAS Name: 2-[(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methylthio]-4,5-dimethyl-1-(2-oxolanylmethyl)imidazole IUPAC Name: 2-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylsulfanyl]-4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazole Traditional Name: 2-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methylthio]-4,5-dimethyl-1-(tetrahydrofurfuryl)imidazole Formula: C21H25ClN4OS MolecularWeight: 416.9674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=N1)SCC2=C(N(N=C2C)C3=CC=CC=C3)Cl)CC4CCCO4)C

Isomeric SMILES

CC1=C(N(C(=N1)SCC2=C(N(N=C2C)C3=CC=CC=C3)Cl)CC4CCCO4)C

InChI

InChI=1S/C21H25ClN4OS/c1-14-16(3)25(12-18-10-7-11-27-18)21(23-14)28-13-19-15(2)24-26(20(19)22)17-8-5-4-6-9-17/h4-6,8-9,18H,7,10-13H2,1-3H3