3-methyl-4-oxidanylidene-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]phthalazine-1-carboxamide

Systemtic Name: 3-methyl-4-oxidanylidene-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]phthalazine-1-carboxamide Openeye Name: N-[5-(4-isopropylphenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: 3-methyl-4-oxo-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]-1-phthalazinecarboxamide IUPAC Name: 3-methyl-4-oxo-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]phthalazine-1-carboxamide Traditional Name: 4-keto-3-methyl-N-(5-p-cumenyl-1,3,4-thiadiazol-2-yl)phthalazine-1-carboxamide Formula: C21H19N5O2S MolecularWeight: 405.47286

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=NN=C(S2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NN=C(S2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C

InChI

InChI=1S/C21H19N5O2S/c1-12(2)13-8-10-14(11-9-13)19-23-24-21(29-19)22-18(27)17-15-6-4-5-7-16(15)20(28)26(3)25-17/h4-12H,1-3H3,(H,22,24,27)