4-[(1-oxidanylidene-4-thiophen-2-yl-phthalazin-2-yl)methyl]benzenecarbonitrile

Systemtic Name: 4-[(1-oxidanylidene-4-thiophen-2-yl-phthalazin-2-yl)methyl]benzenecarbonitrile Openeye Name: 4-[[1-oxo-4-(2-thienyl)phthalazin-2-yl]methyl]benzonitrile CAS Name: 4-[(1-oxo-4-thiophen-2-yl-2-phthalazinyl)methyl]benzonitrile IUPAC Name: 4-[(1-oxo-4-thiophen-2-ylphthalazin-2-yl)methyl]benzonitrile Traditional Name: 4-[[1-keto-4-(2-thienyl)phthalazin-2-yl]methyl]benzonitrile Formula: C20H13N3OS MolecularWeight: 343.40172

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC3=CC=C(C=C3)C#N)C4=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC3=CC=C(C=C3)C#N)C4=CC=CS4

InChI

InChI=1S/C20H13N3OS/c21-12-14-7-9-15(10-8-14)13-23-20(24)17-5-2-1-4-16(17)19(22-23)18-6-3-11-25-18/h1-11H,13H2