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

Systemtic Name: 3-(phenylmethylsulfanyl)-5-pyridin-2-yl-1H-pyrazole-4-carbonitrile Openeye Name: 3-benzylsulfanyl-5-(2-pyridyl)-1H-pyrazole-4-carbonitrile CAS Name: 3-(phenylmethylthio)-5-(2-pyridinyl)-1H-pyrazole-4-carbonitrile IUPAC Name: 3-benzylsulfanyl-5-pyridin-2-yl-1H-pyrazole-4-carbonitrile Traditional Name: 3-(benzylthio)-5-(2-pyridyl)-1H-pyrazole-4-carbonitrile Formula: C16H12N4S MolecularWeight: 292.35828

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NNC(=C2C#N)C3=CC=CC=N3

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NNC(=C2C#N)C3=CC=CC=N3

InChI

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