1-(3-bromanyl-4-methyl-phenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carbonitrile

Systemtic Name: 1-(3-bromanyl-4-methyl-phenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carbonitrile Openeye Name: 1-(3-bromo-4-methyl-phenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carbonitrile CAS Name: 1-(3-bromo-4-methylphenyl)-5-(4-methylsulfonylphenyl)-3-pyrazolecarbonitrile IUPAC Name: 1-(3-bromo-4-methylphenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carbonitrile Traditional Name: 1-(3-bromo-4-methyl-phenyl)-5-(4-mesylphenyl)pyrazole-3-carbonitrile Formula: C18H14BrN3O2S MolecularWeight: 416.29166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=CC(=N2)C#N)C3=CC=C(C=C3)S(=O)(=O)C)Br

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=CC(=N2)C#N)C3=CC=C(C=C3)S(=O)(=O)C)Br

InChI

InChI=1S/C18H14BrN3O2S/c1-12-3-6-15(10-17(12)19)22-18(9-14(11-20)21-22)13-4-7-16(8-5-13)25(2,23)24/h3-10H,1-2H3