N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide

Systemtic Name: N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-[5-(2-furyl)-1,3,4-thiadiazol-2-yl]-4-oxo-phthalazine-1-carboxamide CAS Name: N-[5-(2-furanyl)-1,3,4-thiadiazol-2-yl]-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-N-[5-(2-furyl)-1,3,4-thiadiazol-2-yl]-4-keto-phthalazine-1-carboxamide Formula: C22H15N5O3S MolecularWeight: 429.4512

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=NN=C(S4)C5=CC=CO5

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=NN=C(S4)C5=CC=CO5

InChI

InChI=1S/C22H15N5O3S/c28-19(23-22-25-24-20(31-22)17-11-6-12-30-17)18-15-9-4-5-10-16(15)21(29)27(26-18)13-14-7-2-1-3-8-14/h1-12H,13H2,(H,23,25,28)