1-(4-chloranyl-3-methoxy-phenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carbonitrile

Systemtic Name: 1-(4-chloranyl-3-methoxy-phenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carbonitrile Openeye Name: 1-(4-chloro-3-methoxy-phenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carbonitrile CAS Name: 1-(4-chloro-3-methoxyphenyl)-5-(4-methylsulfonylphenyl)-3-pyrazolecarbonitrile IUPAC Name: 1-(4-chloro-3-methoxyphenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carbonitrile Traditional Name: 1-(4-chloro-3-methoxy-phenyl)-5-(4-mesylphenyl)pyrazole-3-carbonitrile Formula: C18H14ClN3O3S MolecularWeight: 387.84006

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)N2C(=CC(=N2)C#N)C3=CC=C(C=C3)S(=O)(=O)C)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)N2C(=CC(=N2)C#N)C3=CC=C(C=C3)S(=O)(=O)C)Cl

InChI

InChI=1S/C18H14ClN3O3S/c1-25-18-10-14(5-8-16(18)19)22-17(9-13(11-20)21-22)12-3-6-15(7-4-12)26(2,23)24/h3-10H,1-2H3