4-oxidanylidene-3-[2-oxidanylidene-2-[(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)amino]ethyl]phthalazine-1-carboxamide

Systemtic Name: 4-oxidanylidene-3-[2-oxidanylidene-2-[(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)amino]ethyl]phthalazine-1-carboxamide Openeye Name: 3-[2-[[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxamide CAS Name: 4-oxo-3-[2-oxo-2-[(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)amino]ethyl]-1-phthalazinecarboxamide IUPAC Name: 4-oxo-3-[2-oxo-2-[(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)amino]ethyl]phthalazine-1-carboxamide Traditional Name: 3-[2-[[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]amino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxamide Formula: C18H20N6O3S MolecularWeight: 400.4548

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=NN=C(S1)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)N

Isomeric SMILES

CCC(CC)C1=NN=C(S1)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)N

InChI

InChI=1S/C18H20N6O3S/c1-3-10(4-2)16-21-22-18(28-16)20-13(25)9-24-17(27)12-8-6-5-7-11(12)14(23-24)15(19)26/h5-8,10H,3-4,9H2,1-2H3,(H2,19,26)(H,20,22,25)