5-(2-methylpyridin-3-yl)-3-(phenylmethylsulfanyl)-1H-pyrazole-4-carbonitrile

Systemtic Name: 5-(2-methylpyridin-3-yl)-3-(phenylmethylsulfanyl)-1H-pyrazole-4-carbonitrile Openeye Name: 3-benzylsulfanyl-5-(2-methyl-3-pyridyl)-1H-pyrazole-4-carbonitrile CAS Name: 5-(2-methyl-3-pyridinyl)-3-(phenylmethylthio)-1H-pyrazole-4-carbonitrile IUPAC Name: 3-benzylsulfanyl-5-(2-methylpyridin-3-yl)-1H-pyrazole-4-carbonitrile Traditional Name: 3-(benzylthio)-5-(2-methyl-3-pyridyl)-1H-pyrazole-4-carbonitrile Formula: C17H14N4S MolecularWeight: 306.38486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=N1)C2=C(C(=NN2)SCC3=CC=CC=C3)C#N

Isomeric SMILES

CC1=C(C=CC=N1)C2=C(C(=NN2)SCC3=CC=CC=C3)C#N

InChI

InChI=1S/C17H14N4S/c1-12-14(8-5-9-19-12)16-15(10-18)17(21-20-16)22-11-13-6-3-2-4-7-13/h2-9H,11H2,1H3,(H,20,21)