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

Systemtic Name: N-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[2,5-dimethyl-3-(2-methylthiazol-4-yl)pyrrol-1-yl]-3-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[2,5-dimethyl-3-(2-methyl-4-thiazolyl)-1-pyrrolyl]-3-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]-3-methyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[2,5-dimethyl-3-(2-methylthiazol-4-yl)pyrrol-1-yl]-4-keto-3-methyl-phthalazine-1-carboxamide Formula: C20H19N5O2S MolecularWeight: 393.46216

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C20H19N5O2S/c1-11-9-16(17-10-28-13(3)21-17)12(2)25(11)23-19(26)18-14-7-5-6-8-15(14)20(27)24(4)22-18/h5-10H,1-4H3,(H,23,26)