5-azanyl-1-(2-methylpropyl)-3-methylsulfanyl-pyrazole-4-carbonitrile

Systemtic Name: 5-azanyl-1-(2-methylpropyl)-3-methylsulfanyl-pyrazole-4-carbonitrile Openeye Name: 5-amino-1-isobutyl-3-methylsulfanyl-pyrazole-4-carbonitrile CAS Name: 5-amino-1-(2-methylpropyl)-3-(methylthio)-4-pyrazolecarbonitrile IUPAC Name: 5-amino-1-(2-methylpropyl)-3-methylsulfanylpyrazole-4-carbonitrile Traditional Name: 5-amino-1-isobutyl-3-(methylthio)pyrazole-4-carbonitrile Formula: C9H14N4S MolecularWeight: 210.29926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H14N4S/c1-6(2)5-13-8(11)7(4-10)9(12-13)14-3/h6H,5,11H2,1-3H3