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

Systemtic Name: 4-oxidanylidene-3-(phenylmethyl)-N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-oxo-phthalazine-1-carboxamide CAS Name: 4-oxo-3-(phenylmethyl)-N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-keto-phthalazine-1-carboxamide Formula: C25H19N5O2S MolecularWeight: 453.51566

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NN=C(S2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CC2=NN=C(S2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C25H19N5O2S/c31-23(26-25-28-27-21(33-25)15-17-9-3-1-4-10-17)22-19-13-7-8-14-20(19)24(32)30(29-22)16-18-11-5-2-6-12-18/h1-14H,15-16H2,(H,26,28,31)