3-ethyl-N-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-ethyl-N-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-ethyl-4-oxo-N-[5-(p-tolylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]phthalazine-1-carboxamide CAS Name: 3-ethyl-N-[5-[(4-methylphenyl)methylthio]-1,3,4-thiadiazol-2-yl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-ethyl-N-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-ethyl-4-keto-N-[5-[(4-methylbenzyl)thio]-1,3,4-thiadiazol-2-yl]phthalazine-1-carboxamide Formula: C21H19N5O2S2 MolecularWeight: 437.53786

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NN=C(S3)SCC4=CC=C(C=C4)C

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NN=C(S3)SCC4=CC=C(C=C4)C

InChI

InChI=1S/C21H19N5O2S2/c1-3-26-19(28)16-7-5-4-6-15(16)17(25-26)18(27)22-20-23-24-21(30-20)29-12-14-10-8-13(2)9-11-14/h4-11H,3,12H2,1-2H3,(H,22,23,27)