N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-hexyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-hexyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-hexyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-3-hexyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-hexyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-3-hexyl-4-keto-phthalazine-1-carboxamide Formula: C19H23N5O2S2 MolecularWeight: 417.54822

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NN=C(S3)SCC

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NN=C(S3)SCC

InChI

InChI=1S/C19H23N5O2S2/c1-3-5-6-9-12-24-17(26)14-11-8-7-10-13(14)15(23-24)16(25)20-18-21-22-19(28-18)27-4-2/h7-8,10-11H,3-6,9,12H2,1-2H3,(H,20,21,25)