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

Systemtic Name: 4-oxidanylidene-N-[(E)-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methylideneamino]-3-propyl-phthalazine-1-carboxamide Openeye Name: 4-oxo-N-[(E)-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methyleneamino]-3-propyl-phthalazine-1-carboxamide CAS Name: 4-oxo-N-[(E)-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)methylideneamino]-3-propyl-1-phthalazinecarboxamide IUPAC Name: 4-oxo-N-[(E)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]-3-propylphthalazine-1-carboxamide Traditional Name: 4-keto-N-[(E)-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methyleneamino]-3-propyl-phthalazine-1-carboxamide Formula: C26H22N6O2S MolecularWeight: 482.55688

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NN=CC3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N/N=C/C3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5

InChI

InChI=1S/C26H22N6O2S/c1-2-14-31-26(34)21-12-7-6-11-20(21)24(30-31)25(33)28-27-16-18-17-32(19-9-4-3-5-10-19)29-23(18)22-13-8-15-35-22/h3-13,15-17H,2,14H2,1H3,(H,28,33)/b27-16+