3-methyl-N-[4-(4-methyl-3-nitro-phenyl)-1,3-thiazol-2-yl]-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-methyl-N-[4-(4-methyl-3-nitro-phenyl)-1,3-thiazol-2-yl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-methyl-N-[4-(4-methyl-3-nitro-phenyl)thiazol-2-yl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-methyl-N-[4-(4-methyl-3-nitrophenyl)-2-thiazolyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-methyl-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]-4-oxophthalazine-1-carboxamide Traditional Name: 4-keto-3-methyl-N-[4-(4-methyl-3-nitro-phenyl)thiazol-2-yl]phthalazine-1-carboxamide Formula: C20H15N5O4S MolecularWeight: 421.4292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C)[N+](=O)[O-]

InChI

InChI=1S/C20H15N5O4S/c1-11-7-8-12(9-16(11)25(28)29)15-10-30-20(21-15)22-18(26)17-13-5-3-4-6-14(13)19(27)24(2)23-17/h3-10H,1-2H3,(H,21,22,26)