5-(4-methylphenyl)-3-methylsulfanyl-1-(5-methylsulfonylpyridin-2-yl)pyrazole-4-carbonitrile

Systemtic Name: 5-(4-methylphenyl)-3-methylsulfanyl-1-(5-methylsulfonylpyridin-2-yl)pyrazole-4-carbonitrile Openeye Name: 3-methylsulfanyl-1-(5-methylsulfonyl-2-pyridyl)-5-(p-tolyl)pyrazole-4-carbonitrile CAS Name: 5-(4-methylphenyl)-1-(5-methylsulfonyl-2-pyridinyl)-3-(methylthio)-4-pyrazolecarbonitrile IUPAC Name: 5-(4-methylphenyl)-3-methylsulfanyl-1-(5-methylsulfonylpyridin-2-yl)pyrazole-4-carbonitrile Traditional Name: 1-(5-mesyl-2-pyridyl)-3-(methylthio)-5-(p-tolyl)pyrazole-4-carbonitrile Formula: C18H16N4O2S2 MolecularWeight: 384.47524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=NN2C3=NC=C(C=C3)S(=O)(=O)C)SC)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=NN2C3=NC=C(C=C3)S(=O)(=O)C)SC)C#N

InChI

InChI=1S/C18H16N4O2S2/c1-12-4-6-13(7-5-12)17-15(10-19)18(25-2)21-22(17)16-9-8-14(11-20-16)26(3,23)24/h4-9,11H,1-3H3