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

Systemtic Name: 3-(5-tert-butyl-2-methyl-furan-3-yl)-1-(4-iodophenyl)-5-methylsulfanyl-pyrazole-4-carbonitrile Openeye Name: 3-(5-tert-butyl-2-methyl-3-furyl)-1-(4-iodophenyl)-5-methylsulfanyl-pyrazole-4-carbonitrile CAS Name: 3-(5-tert-butyl-2-methyl-3-furanyl)-1-(4-iodophenyl)-5-(methylthio)-4-pyrazolecarbonitrile IUPAC Name: 3-(5-tert-butyl-2-methylfuran-3-yl)-1-(4-iodophenyl)-5-methylsulfanylpyrazole-4-carbonitrile Traditional Name: 3-(5-tert-butyl-2-methyl-3-furyl)-1-(4-iodophenyl)-5-(methylthio)pyrazole-4-carbonitrile Formula: C20H20IN3OS MolecularWeight: 477.36177

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)C(C)(C)C)C2=NN(C(=C2C#N)SC)C3=CC=C(C=C3)I

Isomeric SMILES

CC1=C(C=C(O1)C(C)(C)C)C2=NN(C(=C2C#N)SC)C3=CC=C(C=C3)I

InChI

InChI=1S/C20H20IN3OS/c1-12-15(10-17(25-12)20(2,3)4)18-16(11-22)19(26-5)24(23-18)14-8-6-13(21)7-9-14/h6-10H,1-5H3