N-[(Z)-1-[4-methoxy-3-(pyrimidin-2-ylsulfanylmethyl)phenyl]ethylideneamino]phthalazin-1-amine

Systemtic Name: N-[(Z)-1-[4-methoxy-3-(pyrimidin-2-ylsulfanylmethyl)phenyl]ethylideneamino]phthalazin-1-amine Openeye Name: N-[(Z)-1-[4-methoxy-3-(pyrimidin-2-ylsulfanylmethyl)phenyl]ethylideneamino]phthalazin-1-amine CAS Name: N-[(Z)-1-[4-methoxy-3-[(2-pyrimidinylthio)methyl]phenyl]ethylideneamino]-1-phthalazinamine IUPAC Name: N-[(Z)-1-[4-methoxy-3-(pyrimidin-2-ylsulfanylmethyl)phenyl]ethylideneamino]phthalazin-1-amine Traditional Name: [(Z)-1-[4-methoxy-3-[(2-pyrimidylthio)methyl]phenyl]ethylideneamino]-phthalazin-1-yl-amine Formula: C22H20N6OS MolecularWeight: 416.4988

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC1=NN=CC2=CC=CC=C21)C3=CC(=C(C=C3)OC)CSC4=NC=CC=N4

Isomeric SMILES

C/C(=N/NC1=NN=CC2=CC=CC=C21)/C3=CC(=C(C=C3)OC)CSC4=NC=CC=N4

InChI

InChI=1S/C22H20N6OS/c1-15(26-28-21-19-7-4-3-6-17(19)13-25-27-21)16-8-9-20(29-2)18(12-16)14-30-22-23-10-5-11-24-22/h3-13H,14H2,1-2H3,(H,27,28)/b26-15-