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

Systemtic Name: 3-(5-tert-butyl-2-methyl-furan-3-yl)-5-methylsulfanyl-1-phenyl-pyrazole-4-carbonitrile Openeye Name: 3-(5-tert-butyl-2-methyl-3-furyl)-5-methylsulfanyl-1-phenyl-pyrazole-4-carbonitrile CAS Name: 3-(5-tert-butyl-2-methyl-3-furanyl)-5-(methylthio)-1-phenyl-4-pyrazolecarbonitrile IUPAC Name: 3-(5-tert-butyl-2-methylfuran-3-yl)-5-methylsulfanyl-1-phenylpyrazole-4-carbonitrile Traditional Name: 3-(5-tert-butyl-2-methyl-3-furyl)-5-(methylthio)-1-phenyl-pyrazole-4-carbonitrile Formula: C20H21N3OS MolecularWeight: 351.46524

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3OS/c1-13-15(11-17(24-13)20(2,3)4)18-16(12-21)19(25-5)23(22-18)14-9-7-6-8-10-14/h6-11H,1-5H3