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

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-1-(4-methylsulfonylphenyl)phthalazine-6-carbonitrile Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-1-(4-methylsulfonylphenyl)phthalazine-6-carbonitrile CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-(4-methylsulfonylphenyl)-6-phthalazinecarbonitrile IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-(4-methylsulfonylphenyl)phthalazine-6-carbonitrile Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-1-(4-mesylphenyl)phthalazine-6-carbonitrile Formula: C24H19ClN4O3S MolecularWeight: 478.95066

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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)(=O)C)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)(=O)C)Cl

InChI

InChI=1S/C24H19ClN4O3S/c1-32-22-10-4-16(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)33(2,30)31/h3-12H,14H2,1-2H3,(H,27,29)