4-oxidanylidene-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-(phenylmethyl)phthalazine-1-carboxamide

Systemtic Name: 4-oxidanylidene-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxo-phthalazine-1-carboxamide CAS Name: 4-oxo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-4-oxo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)phthalazine-1-carboxamide Traditional Name: 3-benzyl-N-[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]-4-keto-phthalazine-1-carboxamide Formula: C23H23N5O2S MolecularWeight: 433.52602

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=NN=C(S1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

CCC(CC)C1=NN=C(S1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

InChI

InChI=1S/C23H23N5O2S/c1-3-16(4-2)21-25-26-23(31-21)24-20(29)19-17-12-8-9-13-18(17)22(30)28(27-19)14-15-10-6-5-7-11-15/h5-13,16H,3-4,14H2,1-2H3,(H,24,26,29)