5-(6-chloranylpyridin-3-yl)-3-(phenylmethylsulfanyl)-1H-pyrazole-4-carbonitrile

Systemtic Name: 5-(6-chloranylpyridin-3-yl)-3-(phenylmethylsulfanyl)-1H-pyrazole-4-carbonitrile Openeye Name: 3-benzylsulfanyl-5-(6-chloro-3-pyridyl)-1H-pyrazole-4-carbonitrile CAS Name: 5-(6-chloro-3-pyridinyl)-3-(phenylmethylthio)-1H-pyrazole-4-carbonitrile IUPAC Name: 3-benzylsulfanyl-5-(6-chloropyridin-3-yl)-1H-pyrazole-4-carbonitrile Traditional Name: 3-(benzylthio)-5-(6-chloro-3-pyridyl)-1H-pyrazole-4-carbonitrile Formula: C16H11ClN4S MolecularWeight: 326.80334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11ClN4S/c17-14-7-6-12(9-19-14)15-13(8-18)16(21-20-15)22-10-11-4-2-1-3-5-11/h1-7,9H,10H2,(H,20,21)