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

Systemtic Name: N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[4-(4-acetamidophenyl)thiazol-2-yl]-3-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[4-(4-acetamidophenyl)-2-thiazolyl]-3-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-methyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[4-(4-acetamidophenyl)thiazol-2-yl]-4-keto-3-methyl-phthalazine-1-carboxamide Formula: C21H17N5O3S MolecularWeight: 419.45638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C

InChI

InChI=1S/C21H17N5O3S/c1-12(27)22-14-9-7-13(8-10-14)17-11-30-21(23-17)24-19(28)18-15-5-3-4-6-16(15)20(29)26(2)25-18/h3-11H,1-2H3,(H,22,27)(H,23,24,28)