3-azanyl-5-methylsulfanyl-1-(3-phenylpropyl)pyrazole-4-carbonitrile

Systemtic Name: 3-azanyl-5-methylsulfanyl-1-(3-phenylpropyl)pyrazole-4-carbonitrile Openeye Name: 3-amino-5-methylsulfanyl-1-(3-phenylpropyl)pyrazole-4-carbonitrile CAS Name: 3-amino-5-(methylthio)-1-(3-phenylpropyl)-4-pyrazolecarbonitrile IUPAC Name: 3-amino-5-methylsulfanyl-1-(3-phenylpropyl)pyrazole-4-carbonitrile Traditional Name: 3-amino-5-(methylthio)-1-(3-phenylpropyl)pyrazole-4-carbonitrile Formula: C14H16N4S MolecularWeight: 272.36864

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=NN1CCCC2=CC=CC=C2)N)C#N

Isomeric SMILES

CSC1=C(C(=NN1CCCC2=CC=CC=C2)N)C#N

InChI

InChI=1S/C14H16N4S/c1-19-14-12(10-15)13(16)17-18(14)9-5-8-11-6-3-2-4-7-11/h2-4,6-7H,5,8-9H2,1H3,(H2,16,17)