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

Systemtic Name: N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-[4-(4-ethylphenyl)thiazol-2-yl]-4-oxo-phthalazine-1-carboxamide CAS Name: N-[4-(4-ethylphenyl)-2-thiazolyl]-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-N-[4-(4-ethylphenyl)thiazol-2-yl]-4-keto-phthalazine-1-carboxamide Formula: C27H22N4O2S MolecularWeight: 466.55418

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C27H22N4O2S/c1-2-18-12-14-20(15-13-18)23-17-34-27(28-23)29-25(32)24-21-10-6-7-11-22(21)26(33)31(30-24)16-19-8-4-3-5-9-19/h3-15,17H,2,16H2,1H3,(H,28,29,32)