3-[3-oxidanylidene-5-(propylsulfinylmethyl)-1H-pyrazol-2-yl]propanenitrile

Systemtic Name: 3-[3-oxidanylidene-5-(propylsulfinylmethyl)-1H-pyrazol-2-yl]propanenitrile Openeye Name: 3-[3-oxo-5-(propylsulfinylmethyl)-1H-pyrazol-2-yl]propanenitrile CAS Name: 3-[3-oxo-5-(propylsulfinylmethyl)-1H-pyrazol-2-yl]propanenitrile IUPAC Name: 3-[3-oxo-5-(propylsulfinylmethyl)-1H-pyrazol-2-yl]propanenitrile Traditional Name: 3-[5-keto-3-(propylsulfinylmethyl)-3-pyrazolin-1-yl]propionitrile Formula: C10H15N3O2S MolecularWeight: 241.31

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)CC1=CC(=O)N(N1)CCC#N

Isomeric SMILES

CCCS(=O)CC1=CC(=O)N(N1)CCC#N

InChI

InChI=1S/C10H15N3O2S/c1-2-6-16(15)8-9-7-10(14)13(12-9)5-3-4-11/h7,12H,2-3,5-6,8H2,1H3