3-[5-azanyl-2-(4-methylphenyl)sulfonyl-3H-pyrazol-1-yl]propanenitrile

Systemtic Name: 3-[5-azanyl-2-(4-methylphenyl)sulfonyl-3H-pyrazol-1-yl]propanenitrile Openeye Name: 3-[5-amino-2-(p-tolylsulfonyl)-3H-pyrazol-1-yl]propanenitrile CAS Name: 3-[5-amino-2-(4-methylphenyl)sulfonyl-3H-pyrazol-1-yl]propanenitrile IUPAC Name: 3-[5-amino-2-(4-methylphenyl)sulfonyl-3H-pyrazol-1-yl]propanenitrile Traditional Name: 3-(5-amino-2-tosyl-3-pyrazolin-1-yl)propionitrile Formula: C13H16N4O2S MolecularWeight: 292.35674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC=C(N2CCC#N)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC=C(N2CCC#N)N

InChI

InChI=1S/C13H16N4O2S/c1-11-3-5-12(6-4-11)20(18,19)17-10-7-13(15)16(17)9-2-8-14/h3-7H,2,9-10,15H2,1H3