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

Systemtic Name: N-[3-(1,3-dithian-2-yl)phenyl]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-[3-(1,3-dithian-2-yl)phenyl]-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-[3-(1,3-dithian-2-yl)phenyl]-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-[3-(1,3-dithian-2-yl)phenyl]-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: N-[3-(1,3-dithian-2-yl)phenyl]-4-keto-3-propyl-phthalazine-1-carboxamide Formula: C22H23N3O2S2 MolecularWeight: 425.56692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=CC(=C3)C4SCCCS4

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=CC(=C3)C4SCCCS4

InChI

InChI=1S/C22H23N3O2S2/c1-2-11-25-21(27)18-10-4-3-9-17(18)19(24-25)20(26)23-16-8-5-7-15(14-16)22-28-12-6-13-29-22/h3-5,7-10,14,22H,2,6,11-13H2,1H3,(H,23,26)