1-(2-methylpropanoyl)-5-methylsulfanyl-3-thiophen-2-yl-pyrazole-4-carbonitrile

Systemtic Name: 1-(2-methylpropanoyl)-5-methylsulfanyl-3-thiophen-2-yl-pyrazole-4-carbonitrile Openeye Name: 1-(2-methylpropanoyl)-5-methylsulfanyl-3-(2-thienyl)pyrazole-4-carbonitrile CAS Name: 1-(2-methyl-1-oxopropyl)-5-(methylthio)-3-thiophen-2-yl-4-pyrazolecarbonitrile IUPAC Name: 1-(2-methylpropanoyl)-5-methylsulfanyl-3-thiophen-2-ylpyrazole-4-carbonitrile Traditional Name: 1-isobutyryl-5-(methylthio)-3-(2-thienyl)pyrazole-4-carbonitrile Formula: C13H13N3OS2 MolecularWeight: 291.39182

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1C(=C(C(=N1)C2=CC=CS2)C#N)SC

Isomeric SMILES

CC(C)C(=O)N1C(=C(C(=N1)C2=CC=CS2)C#N)SC

InChI

InChI=1S/C13H13N3OS2/c1-8(2)12(17)16-13(18-3)9(7-14)11(15-16)10-5-4-6-19-10/h4-6,8H,1-3H3