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

Systemtic Name: 5-(1-methylpyrrol-2-yl)-3-(phenylmethylsulfanyl)-1H-pyrazole-4-carbonitrile Openeye Name: 3-benzylsulfanyl-5-(1-methylpyrrol-2-yl)-1H-pyrazole-4-carbonitrile CAS Name: 5-(1-methyl-2-pyrrolyl)-3-(phenylmethylthio)-1H-pyrazole-4-carbonitrile IUPAC Name: 3-benzylsulfanyl-5-(1-methylpyrrol-2-yl)-1H-pyrazole-4-carbonitrile Traditional Name: 3-(benzylthio)-5-(1-methylpyrrol-2-yl)-1H-pyrazole-4-carbonitrile Formula: C16H14N4S MolecularWeight: 294.37416

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2=C(C(=NN2)SCC3=CC=CC=C3)C#N

Isomeric SMILES

CN1C=CC=C1C2=C(C(=NN2)SCC3=CC=CC=C3)C#N

InChI

InChI=1S/C16H14N4S/c1-20-9-5-8-14(20)15-13(10-17)16(19-18-15)21-11-12-6-3-2-4-7-12/h2-9H,11H2,1H3,(H,18,19)