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

Systemtic Name: N-(4-cyclopentylsulfanylphenyl)-4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxamide Openeye Name: N-(4-cyclopentylsulfanylphenyl)-3-isopropyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[4-(cyclopentylthio)phenyl]-4-oxo-3-propan-2-yl-1-phthalazinecarboxamide IUPAC Name: N-(4-cyclopentylsulfanylphenyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide Traditional Name: N-[4-(cyclopentylthio)phenyl]-3-isopropyl-4-keto-phthalazine-1-carboxamide Formula: C23H25N3O2S MolecularWeight: 407.5285

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=C(C=C3)SC4CCCC4

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=C(C=C3)SC4CCCC4

InChI

InChI=1S/C23H25N3O2S/c1-15(2)26-23(28)20-10-6-5-9-19(20)21(25-26)22(27)24-16-11-13-18(14-12-16)29-17-7-3-4-8-17/h5-6,9-15,17H,3-4,7-8H2,1-2H3,(H,24,27)