4-oxidanylidene-3-(phenylmethyl)-N-[(Z)-1-thiophen-2-ylethylideneamino]phthalazine-1-carboxamide

Systemtic Name: 4-oxidanylidene-3-(phenylmethyl)-N-[(Z)-1-thiophen-2-ylethylideneamino]phthalazine-1-carboxamide Openeye Name: 3-benzyl-4-oxo-N-[(Z)-1-(2-thienyl)ethylideneamino]phthalazine-1-carboxamide CAS Name: 4-oxo-3-(phenylmethyl)-N-[(Z)-1-thiophen-2-ylethylideneamino]-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-4-oxo-N-[(Z)-1-thiophen-2-ylethylideneamino]phthalazine-1-carboxamide Traditional Name: 3-benzyl-4-keto-N-[(Z)-1-(2-thienyl)ethylideneamino]phthalazine-1-carboxamide Formula: C22H18N4O2S MolecularWeight: 402.46892

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=NN(C(=O)C2=CC=CC=C21)CC3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

C/C(=N/NC(=O)C1=NN(C(=O)C2=CC=CC=C21)CC3=CC=CC=C3)/C4=CC=CS4

InChI

InChI=1S/C22H18N4O2S/c1-15(19-12-7-13-29-19)23-24-21(27)20-17-10-5-6-11-18(17)22(28)26(25-20)14-16-8-3-2-4-9-16/h2-13H,14H2,1H3,(H,24,27)/b23-15-