5-(4-methoxyphenyl)-3-methylsulfanyl-1H-pyrazole-4-carbonitrile

Systemtic Name: 5-(4-methoxyphenyl)-3-methylsulfanyl-1H-pyrazole-4-carbonitrile Openeye Name: 5-(4-methoxyphenyl)-3-methylsulfanyl-1H-pyrazole-4-carbonitrile CAS Name: 5-(4-methoxyphenyl)-3-(methylthio)-1H-pyrazole-4-carbonitrile IUPAC Name: 5-(4-methoxyphenyl)-3-methylsulfanyl-1H-pyrazole-4-carbonitrile Traditional Name: 5-(4-methoxyphenyl)-3-(methylthio)-1H-pyrazole-4-carbonitrile Formula: C12H11N3OS MolecularWeight: 245.30024

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C(=NN2)SC)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C(=NN2)SC)C#N

InChI

InChI=1S/C12H11N3OS/c1-16-9-5-3-8(4-6-9)11-10(7-13)12(17-2)15-14-11/h3-6H,1-2H3,(H,14,15)