4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-1-(4-methylsulfinylphenyl)phthalazine-6-carbonitrile hydrochloride

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-1-(4-methylsulfinylphenyl)phthalazine-6-carbonitrile hydrochloride Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-1-(4-methylsulfinylphenyl)phthalazine-6-carbonitrile hydrochloride CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-(4-methylsulfinylphenyl)-6-phthalazinecarbonitrile hydrochloride IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-(4-methylsulfinylphenyl)phthalazine-6-carbonitrile hydrochloride Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-1-(4-methylsulfinylphenyl)phthalazine-6-carbonitrile hydrochloride Formula: C24H20Cl2N4O2S MolecularWeight: 499.4122

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)C#N)C4=CC=C(C=C4)S(=O)C)Cl.Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)C#N)C4=CC=C(C=C4)S(=O)C)Cl.Cl

InChI

InChI=1S/C24H19ClN4O2S.ClH/c1-31-22-10-4-16(12-21(22)25)14-27-24-20-11-15(13-26)3-9-19(20)23(28-29-24)17-5-7-18(8-6-17)32(2)30;/h3-12H,14H2,1-2H3,(H,27,29);1H