2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)ethanamide

Systemtic Name: 2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)ethanamide Openeye Name: 2-(3-methyl-4-oxo-phthalazin-1-yl)-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide CAS Name: 2-(3-methyl-4-oxo-1-phthalazinyl)-N-[5-(phenacylthio)-1,3,4-thiadiazol-2-yl]acetamide IUPAC Name: 2-(3-methyl-4-oxophthalazin-1-yl)-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide Traditional Name: 2-(4-keto-3-methyl-phthalazin-1-yl)-N-[5-(phenacylthio)-1,3,4-thiadiazol-2-yl]acetamide Formula: C21H17N5O3S2 MolecularWeight: 451.52138

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)NC3=NN=C(S3)SCC(=O)C4=CC=CC=C4

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)NC3=NN=C(S3)SCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H17N5O3S2/c1-26-19(29)15-10-6-5-9-14(15)16(25-26)11-18(28)22-20-23-24-21(31-20)30-12-17(27)13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,22,23,28)