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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=CN(N=C2C#N)C3=CC=NC=C3.Cl

Isomeric SMILES

CSC1=CC=C(C=C1)C2=CN(N=C2C#N)C3=CC=NC=C3.Cl

InChI

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