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

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-1-thiomorpholin-4-yl-phthalazine-6-carbonitrile Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-1-thiomorpholino-phthalazine-6-carbonitrile CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-thiomorpholin-4-yl-6-phthalazinecarbonitrile IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-thiomorpholin-4-ylphthalazine-6-carbonitrile Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-1-thiomorpholino-phthalazine-6-carbonitrile Formula: C21H20ClN5OS MolecularWeight: 425.9344

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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)N4CCSCC4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)C#N)N4CCSCC4)Cl

InChI

InChI=1S/C21H20ClN5OS/c1-28-19-5-3-15(11-18(19)22)13-24-20-17-10-14(12-23)2-4-16(17)21(26-25-20)27-6-8-29-9-7-27/h2-5,10-11H,6-9,13H2,1H3,(H,24,25)