N-[3-(1,3-dithian-2-yl)phenyl]-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide

Systemtic Name: N-[3-(1,3-dithian-2-yl)phenyl]-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide Openeye Name: N-[3-(1,3-dithian-2-yl)phenyl]-4-oxo-3-phenyl-phthalazine-1-carboxamide CAS Name: N-[3-(1,3-dithian-2-yl)phenyl]-4-oxo-3-phenyl-1-phthalazinecarboxamide IUPAC Name: N-[3-(1,3-dithian-2-yl)phenyl]-4-oxo-3-phenylphthalazine-1-carboxamide Traditional Name: N-[3-(1,3-dithian-2-yl)phenyl]-4-keto-3-phenyl-phthalazine-1-carboxamide Formula: C25H21N3O2S2 MolecularWeight: 459.58314

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(SC1)C2=CC(=CC=C2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

C1CSC(SC1)C2=CC(=CC=C2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C25H21N3O2S2/c29-23(26-18-9-6-8-17(16-18)25-31-14-7-15-32-25)22-20-12-4-5-13-21(20)24(30)28(27-22)19-10-2-1-3-11-19/h1-6,8-13,16,25H,7,14-15H2,(H,26,29)