N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide

Systemtic Name: N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-[(Z)-(3-methyl-2-thienyl)methyleneamino]-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(Z)-(3-methyl-2-thiophenyl)methylideneamino]-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-4-keto-N-[(Z)-(3-methyl-2-thienyl)methyleneamino]phthalazine-1-carboxamide Formula: C22H18N4O2S MolecularWeight: 402.46892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C=NNC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC=C1)/C=N\NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

InChI

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