N-[(3-chloranyl-4-methoxy-phenyl)methyl]-7-isocyano-4-(1,3-thiazol-2-yl)phthalazin-1-amine

Systemtic Name: N-[(3-chloranyl-4-methoxy-phenyl)methyl]-7-isocyano-4-(1,3-thiazol-2-yl)phthalazin-1-amine Openeye Name: N-[(3-chloro-4-methoxy-phenyl)methyl]-7-isocyano-4-thiazol-2-yl-phthalazin-1-amine CAS Name: N-[(3-chloro-4-methoxyphenyl)methyl]-7-isocyano-4-(2-thiazolyl)-1-phthalazinamine IUPAC Name: N-[(3-chloro-4-methoxyphenyl)methyl]-7-isocyano-4-(1,3-thiazol-2-yl)phthalazin-1-amine Traditional Name: (3-chloro-4-methoxy-benzyl)-(7-isocyano-4-thiazol-2-yl-phthalazin-1-yl)amine Formula: C20H14ClN5OS MolecularWeight: 407.87606

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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=NC=CS4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)[N+]#[C-])C4=NC=CS4)Cl

InChI

InChI=1S/C20H14ClN5OS/c1-22-13-4-5-14-15(10-13)19(26-25-18(14)20-23-7-8-28-20)24-11-12-3-6-17(27-2)16(21)9-12/h3-10H,11H2,2H3,(H,24,26)