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

Systemtic Name: 1-(3-azanyl-4-methoxy-phenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carbonitrile hydrochloride Openeye Name: 1-(3-amino-4-methoxy-phenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carbonitrile hydrochloride CAS Name: 1-(3-amino-4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-3-pyrazolecarbonitrile hydrochloride IUPAC Name: 1-(3-amino-4-methoxyphenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carbonitrile hydrochloride Traditional Name: 1-(3-amino-4-methoxy-phenyl)-5-(4-mesylphenyl)pyrazole-3-carbonitrile hydrochloride Formula: C18H17ClN4O3S MolecularWeight: 404.87058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N4O3S.ClH/c1-25-18-8-5-14(10-16(18)20)22-17(9-13(11-19)21-22)12-3-6-15(7-4-12)26(2,23)24;/h3-10H,20H2,1-2H3;1H