3-[4-methyl-5-(methylsulfanylmethyl)-3-oxidanylidene-1H-pyrazol-2-yl]propanenitrile

Systemtic Name: 3-[4-methyl-5-(methylsulfanylmethyl)-3-oxidanylidene-1H-pyrazol-2-yl]propanenitrile Openeye Name: 3-[4-methyl-5-(methylsulfanylmethyl)-3-oxo-1H-pyrazol-2-yl]propanenitrile CAS Name: 3-[4-methyl-5-[(methylthio)methyl]-3-oxo-1H-pyrazol-2-yl]propanenitrile IUPAC Name: 3-[4-methyl-5-(methylsulfanylmethyl)-3-oxo-1H-pyrazol-2-yl]propanenitrile Traditional Name: 3-[5-keto-4-methyl-3-[(methylthio)methyl]-3-pyrazolin-1-yl]propionitrile Formula: C9H13N3OS MolecularWeight: 211.28402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NN(C1=O)CCC#N)CSC

Isomeric SMILES

CC1=C(NN(C1=O)CCC#N)CSC

InChI

InChI=1S/C9H13N3OS/c1-7-8(6-14-2)11-12(9(7)13)5-3-4-10/h11H,3,5-6H2,1-2H3