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

Systemtic Name: 5-(4-tert-butylphenyl)sulfanyl-1-methyl-3-phenyl-pyrazole-4-carbonitrile Openeye Name: 5-(4-tert-butylphenyl)sulfanyl-1-methyl-3-phenyl-pyrazole-4-carbonitrile CAS Name: 5-[(4-tert-butylphenyl)thio]-1-methyl-3-phenyl-4-pyrazolecarbonitrile IUPAC Name: 5-(4-tert-butylphenyl)sulfanyl-1-methyl-3-phenylpyrazole-4-carbonitrile Traditional Name: 5-[(4-tert-butylphenyl)thio]-1-methyl-3-phenyl-pyrazole-4-carbonitrile Formula: C21H21N3S MolecularWeight: 347.47654

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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#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)SC2=C(C(=NN2C)C3=CC=CC=C3)C#N

InChI

InChI=1S/C21H21N3S/c1-21(2,3)16-10-12-17(13-11-16)25-20-18(14-22)19(23-24(20)4)15-8-6-5-7-9-15/h5-13H,1-4H3