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

Systemtic Name: 3-methyl-4-oxidanylidene-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)phthalazine-1-carboxamide Openeye Name: N-[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]-3-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: 3-methyl-4-oxo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1-phthalazinecarboxamide IUPAC Name: 3-methyl-4-oxo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)phthalazine-1-carboxamide Traditional Name: N-[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]-4-keto-3-methyl-phthalazine-1-carboxamide Formula: C17H19N5O2S MolecularWeight: 357.43006

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C17H19N5O2S/c1-4-10(5-2)15-19-20-17(25-15)18-14(23)13-11-8-6-7-9-12(11)16(24)22(3)21-13/h6-10H,4-5H2,1-3H3,(H,18,20,23)