N-(2-cyclopentylsulfanylphenyl)-3-ethyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-(2-cyclopentylsulfanylphenyl)-3-ethyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-(2-cyclopentylsulfanylphenyl)-3-ethyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[2-(cyclopentylthio)phenyl]-3-ethyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-(2-cyclopentylsulfanylphenyl)-3-ethyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[2-(cyclopentylthio)phenyl]-3-ethyl-4-keto-phthalazine-1-carboxamide Formula: C22H23N3O2S MolecularWeight: 393.50192

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=CC=C3SC4CCCC4

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=CC=C3SC4CCCC4

InChI

InChI=1S/C22H23N3O2S/c1-2-25-22(27)17-12-6-5-11-16(17)20(24-25)21(26)23-18-13-7-8-14-19(18)28-15-9-3-4-10-15/h5-8,11-15H,2-4,9-10H2,1H3,(H,23,26)