5-[3-chloranyl-5-(4-methylsulfonylphenyl)pyrazol-1-yl]-2-methoxy-benzenecarbonitrile

Systemtic Name: 5-[3-chloranyl-5-(4-methylsulfonylphenyl)pyrazol-1-yl]-2-methoxy-benzenecarbonitrile Openeye Name: 5-[3-chloro-5-(4-methylsulfonylphenyl)pyrazol-1-yl]-2-methoxy-benzonitrile CAS Name: 5-[3-chloro-5-(4-methylsulfonylphenyl)-1-pyrazolyl]-2-methoxybenzonitrile IUPAC Name: 5-[3-chloro-5-(4-methylsulfonylphenyl)pyrazol-1-yl]-2-methoxybenzonitrile Traditional Name: 5-[3-chloro-5-(4-mesylphenyl)pyrazol-1-yl]-2-methoxy-benzonitrile Formula: C18H14ClN3O3S MolecularWeight: 387.84006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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