3-(5-tert-butyl-2-methyl-furan-3-yl)-1-(3,5-dimethylphenyl)-5-methylsulfanyl-pyrazole-4-carbonitrile

Systemtic Name: 3-(5-tert-butyl-2-methyl-furan-3-yl)-1-(3,5-dimethylphenyl)-5-methylsulfanyl-pyrazole-4-carbonitrile Openeye Name: 3-(5-tert-butyl-2-methyl-3-furyl)-1-(3,5-dimethylphenyl)-5-methylsulfanyl-pyrazole-4-carbonitrile CAS Name: 3-(5-tert-butyl-2-methyl-3-furanyl)-1-(3,5-dimethylphenyl)-5-(methylthio)-4-pyrazolecarbonitrile IUPAC Name: 3-(5-tert-butyl-2-methylfuran-3-yl)-1-(3,5-dimethylphenyl)-5-methylsulfanylpyrazole-4-carbonitrile Traditional Name: 3-(5-tert-butyl-2-methyl-3-furyl)-1-(3,5-dimethylphenyl)-5-(methylthio)pyrazole-4-carbonitrile Formula: C22H25N3OS MolecularWeight: 379.5184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=C(C(=N2)C3=C(OC(=C3)C(C)(C)C)C)C#N)SC)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=C(C(=N2)C3=C(OC(=C3)C(C)(C)C)C)C#N)SC)C

InChI

InChI=1S/C22H25N3OS/c1-13-8-14(2)10-16(9-13)25-21(27-7)18(12-23)20(24-25)17-11-19(22(4,5)6)26-15(17)3/h8-11H,1-7H3