5-azanyl-1-[4-(4-methylphenyl)sulfonylphenyl]pyrazole-4-carbonitrile

Systemtic Name: 5-azanyl-1-[4-(4-methylphenyl)sulfonylphenyl]pyrazole-4-carbonitrile Openeye Name: 5-amino-1-[4-(p-tolylsulfonyl)phenyl]pyrazole-4-carbonitrile CAS Name: 5-amino-1-[4-(4-methylphenyl)sulfonylphenyl]-4-pyrazolecarbonitrile IUPAC Name: 5-amino-1-[4-(4-methylphenyl)sulfonylphenyl]pyrazole-4-carbonitrile Traditional Name: 5-amino-1-(4-tosylphenyl)pyrazole-4-carbonitrile Formula: C17H14N4O2S MolecularWeight: 338.38366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)N3C(=C(C=N3)C#N)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)N3C(=C(C=N3)C#N)N

InChI

InChI=1S/C17H14N4O2S/c1-12-2-6-15(7-3-12)24(22,23)16-8-4-14(5-9-16)21-17(19)13(10-18)11-20-21/h2-9,11H,19H2,1H3