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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NN=C(S1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C

Isomeric SMILES

CC(C)CC1=NN=C(S1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C

InChI

InChI=1S/C16H17N5O2S/c1-9(2)8-12-18-19-16(24-12)17-14(22)13-10-6-4-5-7-11(10)15(23)21(3)20-13/h4-7,9H,8H2,1-3H3,(H,17,19,22)