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

Systemtic Name: 2-[[5-[4-oxidanylidene-3-(phenylmethyl)phthalazin-1-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenethyl-ethanamide Openeye Name: 2-[[5-(3-benzyl-4-oxo-phthalazin-1-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[[5-[4-oxo-3-(phenylmethyl)-1-phthalazinyl]-1,3,4-oxadiazol-2-yl]thio]-N-phenethylacetamide IUPAC Name: 2-[[5-(3-benzyl-4-oxophthalazin-1-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenethylacetamide Traditional Name: 2-[[5-(3-benzyl-4-keto-phthalazin-1-yl)-1,3,4-oxadiazol-2-yl]thio]-N-phenethyl-acetamide Formula: C27H23N5O3S MolecularWeight: 497.56822

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)CSC2=NN=C(O2)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)CSC2=NN=C(O2)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C27H23N5O3S/c33-23(28-16-15-19-9-3-1-4-10-19)18-36-27-30-29-25(35-27)24-21-13-7-8-14-22(21)26(34)32(31-24)17-20-11-5-2-6-12-20/h1-14H,15-18H2,(H,28,33)