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

Systemtic Name: N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-oxo-phthalazine-1-carboxamide CAS Name: N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-keto-phthalazine-1-carboxamide Formula: C21H17N5O2S MolecularWeight: 403.45698

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(S2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

C1CC1C2=NN=C(S2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C21H17N5O2S/c27-18(22-21-24-23-19(29-21)14-10-11-14)17-15-8-4-5-9-16(15)20(28)26(25-17)12-13-6-2-1-3-7-13/h1-9,14H,10-12H2,(H,22,24,27)