5-azanyl-1-(3,5-dimethylphenyl)-3-methylsulfanyl-pyrazole-4-carbonitrile

Systemtic Name: 5-azanyl-1-(3,5-dimethylphenyl)-3-methylsulfanyl-pyrazole-4-carbonitrile Openeye Name: 5-amino-1-(3,5-dimethylphenyl)-3-methylsulfanyl-pyrazole-4-carbonitrile CAS Name: 5-amino-1-(3,5-dimethylphenyl)-3-(methylthio)-4-pyrazolecarbonitrile IUPAC Name: 5-amino-1-(3,5-dimethylphenyl)-3-methylsulfanylpyrazole-4-carbonitrile Traditional Name: 5-amino-1-(3,5-dimethylphenyl)-3-(methylthio)pyrazole-4-carbonitrile Formula: C13H14N4S MolecularWeight: 258.34206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=C(C(=N2)SC)C#N)N)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=C(C(=N2)SC)C#N)N)C

InChI

InChI=1S/C13H14N4S/c1-8-4-9(2)6-10(5-8)17-12(15)11(7-14)13(16-17)18-3/h4-6H,15H2,1-3H3