N-[2,5-dimethyl-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)pyrrol-1-yl]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[2,5-dimethyl-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)pyrrol-1-yl]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[2,5-dimethyl-3-[2-(2-thienyl)thiazol-4-yl]pyrrol-1-yl]-3-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[2,5-dimethyl-3-(2-thiophen-2-yl-4-thiazolyl)-1-pyrrolyl]-3-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[2,5-dimethyl-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)pyrrol-1-yl]-3-methyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[2,5-dimethyl-3-[2-(2-thienyl)thiazol-4-yl]pyrrol-1-yl]-4-keto-3-methyl-phthalazine-1-carboxamide Formula: C23H19N5O2S2 MolecularWeight: 461.55926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C)C)C4=CSC(=N4)C5=CC=CS5

Isomeric SMILES

CC1=CC(=C(N1NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C)C)C4=CSC(=N4)C5=CC=CS5

InChI

InChI=1S/C23H19N5O2S2/c1-13-11-17(18-12-32-22(24-18)19-9-6-10-31-19)14(2)28(13)26-21(29)20-15-7-4-5-8-16(15)23(30)27(3)25-20/h4-12H,1-3H3,(H,26,29)