5-(phenylmethylsulfanyl)-1-pyridin-2-yl-pyrazole-4-carbonitrile

Systemtic Name: 5-(phenylmethylsulfanyl)-1-pyridin-2-yl-pyrazole-4-carbonitrile Openeye Name: 5-benzylsulfanyl-1-(2-pyridyl)pyrazole-4-carbonitrile CAS Name: 5-(phenylmethylthio)-1-(2-pyridinyl)-4-pyrazolecarbonitrile IUPAC Name: 5-benzylsulfanyl-1-pyridin-2-ylpyrazole-4-carbonitrile Traditional Name: 5-(benzylthio)-1-(2-pyridyl)pyrazole-4-carbonitrile Formula: C16H12N4S MolecularWeight: 292.35828

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=C(C=NN2C3=CC=CC=N3)C#N

Isomeric SMILES

C1=CC=C(C=C1)CSC2=C(C=NN2C3=CC=CC=N3)C#N

InChI

InChI=1S/C16H12N4S/c17-10-14-11-19-20(15-8-4-5-9-18-15)16(14)21-12-13-6-2-1-3-7-13/h1-9,11H,12H2