N-[(3-chloranyl-4-methoxy-phenyl)methyl]-7-isocyano-4-(4-methylsulfonylphenyl)phthalazin-1-amine

Systemtic Name: N-[(3-chloranyl-4-methoxy-phenyl)methyl]-7-isocyano-4-(4-methylsulfonylphenyl)phthalazin-1-amine Openeye Name: N-[(3-chloro-4-methoxy-phenyl)methyl]-7-isocyano-4-(4-methylsulfonylphenyl)phthalazin-1-amine CAS Name: N-[(3-chloro-4-methoxyphenyl)methyl]-7-isocyano-4-(4-methylsulfonylphenyl)-1-phthalazinamine IUPAC Name: N-[(3-chloro-4-methoxyphenyl)methyl]-7-isocyano-4-(4-methylsulfonylphenyl)phthalazin-1-amine Traditional Name: (3-chloro-4-methoxy-benzyl)-[7-isocyano-4-(4-mesylphenyl)phthalazin-1-yl]amine 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)[N+]#[C-])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)[N+]#[C-])C4=CC=C(C=C4)S(=O)(=O)C)Cl

InChI

InChI=1S/C24H19ClN4O3S/c1-26-17-7-10-19-20(13-17)24(27-14-15-4-11-22(32-2)21(25)12-15)29-28-23(19)16-5-8-18(9-6-16)33(3,30)31/h4-13H,14H2,2-3H3,(H,27,29)