N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]-4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxamide

Systemtic Name: N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]-4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxamide Openeye Name: 3-isopropyl-N-[(Z)-(4-methylsulfanylphenyl)methyleneamino]-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(Z)-[4-(methylthio)phenyl]methylideneamino]-4-oxo-3-propan-2-yl-1-phthalazinecarboxamide IUPAC Name: N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide Traditional Name: 3-isopropyl-4-keto-N-[(Z)-[4-(methylthio)benzylidene]amino]phthalazine-1-carboxamide Formula: C20H20N4O2S MolecularWeight: 380.4634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)NN=CC3=CC=C(C=C3)SC

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)N/N=C\C3=CC=C(C=C3)SC

InChI

InChI=1S/C20H20N4O2S/c1-13(2)24-20(26)17-7-5-4-6-16(17)18(23-24)19(25)22-21-12-14-8-10-15(27-3)11-9-14/h4-13H,1-3H3,(H,22,25)/b21-12-