3-methyl-1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)pyrazole-4-carbonitrile

Systemtic Name: 3-methyl-1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)pyrazole-4-carbonitrile Openeye Name: 3-methyl-1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)pyrazole-4-carbonitrile CAS Name: 3-methyl-1-phenyl-5-[(2-pyrimidinylthio)methyl]-4-pyrazolecarbonitrile IUPAC Name: 3-methyl-1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)pyrazole-4-carbonitrile Traditional Name: 3-methyl-1-phenyl-5-[(2-pyrimidylthio)methyl]pyrazole-4-carbonitrile Formula: C16H13N5S MolecularWeight: 307.37292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)CSC2=NC=CC=N2)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C#N)CSC2=NC=CC=N2)C3=CC=CC=C3

InChI

InChI=1S/C16H13N5S/c1-12-14(10-17)15(11-22-16-18-8-5-9-19-16)21(20-12)13-6-3-2-4-7-13/h2-9H,11H2,1H3