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

Systemtic Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methyl-4-oxophthalazine-1-carboxamide Traditional Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-keto-3-methyl-phthalazine-1-carboxamide Formula: C16H17N5O2S MolecularWeight: 343.40348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(S1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C

Isomeric SMILES

CCCCC1=NN=C(S1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C

InChI

InChI=1S/C16H17N5O2S/c1-3-4-9-12-18-19-16(24-12)17-14(22)13-10-7-5-6-8-11(10)15(23)21(2)20-13/h5-8H,3-4,9H2,1-2H3,(H,17,19,22)