3-[2-cyanoethyl-[(1-oxidanylidene-4-thiophen-2-yl-phthalazin-2-yl)methyl]amino]propanenitrile

Systemtic Name: 3-[2-cyanoethyl-[(1-oxidanylidene-4-thiophen-2-yl-phthalazin-2-yl)methyl]amino]propanenitrile Openeye Name: 3-[2-cyanoethyl-[[1-oxo-4-(2-thienyl)phthalazin-2-yl]methyl]amino]propanenitrile CAS Name: 3-[2-cyanoethyl-[(1-oxo-4-thiophen-2-yl-2-phthalazinyl)methyl]amino]propanenitrile IUPAC Name: 3-[2-cyanoethyl-[(1-oxo-4-thiophen-2-ylphthalazin-2-yl)methyl]amino]propanenitrile Traditional Name: 3-[2-cyanoethyl-[[1-keto-4-(2-thienyl)phthalazin-2-yl]methyl]amino]propionitrile Formula: C19H17N5OS MolecularWeight: 363.43618

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CN(CCC#N)CCC#N)C3=CC=CS3

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CN(CCC#N)CCC#N)C3=CC=CS3

InChI

InChI=1S/C19H17N5OS/c20-9-4-11-23(12-5-10-21)14-24-19(25)16-7-2-1-6-15(16)18(22-24)17-8-3-13-26-17/h1-3,6-8,13H,4-5,11-12,14H2