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

Systemtic Name: 3-(2-methylpropyl)-4-oxidanylidene-N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]phthalazine-1-carboxamide Openeye Name: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-isobutyl-4-oxo-phthalazine-1-carboxamide CAS Name: 3-(2-methylpropyl)-4-oxo-N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]-1-phthalazinecarboxamide IUPAC Name: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide Traditional Name: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-isobutyl-4-keto-phthalazine-1-carboxamide Formula: C22H21N5O2S MolecularWeight: 419.49944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NN=C(S3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NN=C(S3)CC4=CC=CC=C4

InChI

InChI=1S/C22H21N5O2S/c1-14(2)13-27-21(29)17-11-7-6-10-16(17)19(26-27)20(28)23-22-25-24-18(30-22)12-15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3,(H,23,25,28)