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

Systemtic Name: 3-(phenylmethylsulfanyl)-5-pyridin-3-yl-1H-pyrazole-4-carbonitrile Openeye Name: 3-benzylsulfanyl-5-(3-pyridyl)-1H-pyrazole-4-carbonitrile CAS Name: 3-(phenylmethylthio)-5-(3-pyridinyl)-1H-pyrazole-4-carbonitrile IUPAC Name: 3-benzylsulfanyl-5-pyridin-3-yl-1H-pyrazole-4-carbonitrile Traditional Name: 3-(benzylthio)-5-(3-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=CN=CC=C3

Isomeric SMILES

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

InChI

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