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

Systemtic Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide Openeye Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-oxo-3-pentyl-phthalazine-1-carboxamide CAS Name: N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-4-oxo-3-pentyl-1-phthalazinecarboxamide IUPAC Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-oxo-3-pentylphthalazine-1-carboxamide Traditional Name: 3-amyl-N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-4-keto-phthalazine-1-carboxamide Formula: C18H21N5O2S2 MolecularWeight: 403.52164

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NN=C(S3)SCC

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NN=C(S3)SCC

InChI

InChI=1S/C18H21N5O2S2/c1-3-5-8-11-23-16(25)13-10-7-6-9-12(13)14(22-23)15(24)19-17-20-21-18(27-17)26-4-2/h6-7,9-10H,3-5,8,11H2,1-2H3,(H,19,20,24)