1-methyl-5-methylsulfanyl-3-phenyl-pyrazole-4-carbonitrile

Systemtic Name: 1-methyl-5-methylsulfanyl-3-phenyl-pyrazole-4-carbonitrile Openeye Name: 1-methyl-5-methylsulfanyl-3-phenyl-pyrazole-4-carbonitrile CAS Name: 1-methyl-5-(methylthio)-3-phenyl-4-pyrazolecarbonitrile IUPAC Name: 1-methyl-5-methylsulfanyl-3-phenylpyrazole-4-carbonitrile Traditional Name: 1-methyl-5-(methylthio)-3-phenyl-pyrazole-4-carbonitrile Formula: C12H11N3S MolecularWeight: 229.30084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)C2=CC=CC=C2)C#N)SC

Isomeric SMILES

CN1C(=C(C(=N1)C2=CC=CC=C2)C#N)SC

InChI

InChI=1S/C12H11N3S/c1-15-12(16-2)10(8-13)11(14-15)9-6-4-3-5-7-9/h3-7H,1-2H3