5-(4-tert-butylphenyl)sulfanyl-1-methyl-3-phenyl-pyrazole-4-carbaldehyde

Systemtic Name: 5-(4-tert-butylphenyl)sulfanyl-1-methyl-3-phenyl-pyrazole-4-carbaldehyde Openeye Name: 5-(4-tert-butylphenyl)sulfanyl-1-methyl-3-phenyl-pyrazole-4-carbaldehyde CAS Name: 5-[(4-tert-butylphenyl)thio]-1-methyl-3-phenyl-4-pyrazolecarboxaldehyde IUPAC Name: 5-(4-tert-butylphenyl)sulfanyl-1-methyl-3-phenylpyrazole-4-carbaldehyde Traditional Name: 5-[(4-tert-butylphenyl)thio]-1-methyl-3-phenyl-pyrazole-4-carbaldehyde Formula: C21H22N2OS MolecularWeight: 350.47718

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)SC2=C(C(=NN2C)C3=CC=CC=C3)C=O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)SC2=C(C(=NN2C)C3=CC=CC=C3)C=O

InChI

InChI=1S/C21H22N2OS/c1-21(2,3)16-10-12-17(13-11-16)25-20-18(14-24)19(22-23(20)4)15-8-6-5-7-9-15/h5-14H,1-4H3