3-[[5-[4-oxidanylidene-3-(phenylmethyl)phthalazin-1-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide

Systemtic Name: 3-[[5-[4-oxidanylidene-3-(phenylmethyl)phthalazin-1-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide Openeye Name: 3-[[5-(3-benzyl-4-oxo-phthalazin-1-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide CAS Name: 3-[[5-[4-oxo-3-(phenylmethyl)-1-phthalazinyl]-1,3,4-oxadiazol-2-yl]thio]propanamide IUPAC Name: 3-[[5-(3-benzyl-4-oxophthalazin-1-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide Traditional Name: 3-[[5-(3-benzyl-4-keto-phthalazin-1-yl)-1,3,4-oxadiazol-2-yl]thio]propionamide Formula: C20H17N5O3S MolecularWeight: 407.44568

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C4=NN=C(O4)SCCC(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C4=NN=C(O4)SCCC(=O)N

InChI

InChI=1S/C20H17N5O3S/c21-16(26)10-11-29-20-23-22-18(28-20)17-14-8-4-5-9-15(14)19(27)25(24-17)12-13-6-2-1-3-7-13/h1-9H,10-12H2,(H2,21,26)