5-(4-methylsulfanylphenyl)-1-pyridin-4-yl-pyrazole-3-carbonitrile hydrochloride

Systemtic Name: 5-(4-methylsulfanylphenyl)-1-pyridin-4-yl-pyrazole-3-carbonitrile hydrochloride Openeye Name: 5-(4-methylsulfanylphenyl)-1-(4-pyridyl)pyrazole-3-carbonitrile hydrochloride CAS Name: 5-[4-(methylthio)phenyl]-1-pyridin-4-yl-3-pyrazolecarbonitrile hydrochloride IUPAC Name: 5-(4-methylsulfanylphenyl)-1-pyridin-4-ylpyrazole-3-carbonitrile hydrochloride Traditional Name: 5-[4-(methylthio)phenyl]-1-(4-pyridyl)pyrazole-3-carbonitrile hydrochloride Formula: C16H13ClN4S MolecularWeight: 328.81922

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=CC(=NN2C3=CC=NC=C3)C#N.Cl

Isomeric SMILES

CSC1=CC=C(C=C1)C2=CC(=NN2C3=CC=NC=C3)C#N.Cl

InChI

InChI=1S/C16H12N4S.ClH/c1-21-15-4-2-12(3-5-15)16-10-13(11-17)19-20(16)14-6-8-18-9-7-14;/h2-10H,1H3;1H