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

Systemtic Name: 4-oxidanylidene-3-(phenylmethyl)-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-oxo-phthalazine-1-carboxamide CAS Name: 4-oxo-3-(phenylmethyl)-N-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-N-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-4-keto-phthalazine-1-carboxamide Formula: C25H19N5O2S2 MolecularWeight: 485.58066

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=NN=C(S4)SCC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=NN=C(S4)SCC5=CC=CC=C5

InChI

InChI=1S/C25H19N5O2S2/c31-22(26-24-27-28-25(34-24)33-16-18-11-5-2-6-12-18)21-19-13-7-8-14-20(19)23(32)30(29-21)15-17-9-3-1-4-10-17/h1-14H,15-16H2,(H,26,27,31)