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

Systemtic Name: 5-(5-tert-butyl-2-methyl-furan-3-yl)-3-methylsulfanyl-1H-pyrazole-4-carbonitrile Openeye Name: 5-(5-tert-butyl-2-methyl-3-furyl)-3-methylsulfanyl-1H-pyrazole-4-carbonitrile CAS Name: 5-(5-tert-butyl-2-methyl-3-furanyl)-3-(methylthio)-1H-pyrazole-4-carbonitrile IUPAC Name: 5-(5-tert-butyl-2-methylfuran-3-yl)-3-methylsulfanyl-1H-pyrazole-4-carbonitrile Traditional Name: 5-(5-tert-butyl-2-methyl-3-furyl)-3-(methylthio)-1H-pyrazole-4-carbonitrile Formula: C14H17N3OS MolecularWeight: 275.36928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)C(C)(C)C)C2=C(C(=NN2)SC)C#N

Isomeric SMILES

CC1=C(C=C(O1)C(C)(C)C)C2=C(C(=NN2)SC)C#N

InChI

InChI=1S/C14H17N3OS/c1-8-9(6-11(18-8)14(2,3)4)12-10(7-15)13(19-5)17-16-12/h6H,1-5H3,(H,16,17)