N-[(E)-(3-methylthiophen-2-yl)methylideneamino]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide

Systemtic Name: N-[(E)-(3-methylthiophen-2-yl)methylideneamino]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-[(E)-(3-methyl-2-thienyl)methyleneamino]-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-[(E)-(3-methyl-2-thiophenyl)methylideneamino]-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-[(E)-(3-methylthiophen-2-yl)methylideneamino]-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: 4-keto-N-[(E)-(3-methyl-2-thienyl)methyleneamino]-3-propyl-phthalazine-1-carboxamide Formula: C18H18N4O2S MolecularWeight: 354.42612

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NN=CC3=C(C=CS3)C

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N/N=C/C3=C(C=CS3)C

InChI

InChI=1S/C18H18N4O2S/c1-3-9-22-18(24)14-7-5-4-6-13(14)16(21-22)17(23)20-19-11-15-12(2)8-10-25-15/h4-8,10-11H,3,9H2,1-2H3,(H,20,23)/b19-11+