3-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]-N-[2-(phenylmethylsulfanyl)phenyl]propanamide

Systemtic Name: 3-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]-N-[2-(phenylmethylsulfanyl)phenyl]propanamide Openeye Name: N-(2-benzylsulfanylphenyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide CAS Name: 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[2-(phenylmethylthio)phenyl]propanamide IUPAC Name: N-(2-benzylsulfanylphenyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide Traditional Name: N-[2-(benzylthio)phenyl]-3-(1,4-diketo-3H-phthalazin-2-yl)propionamide Formula: C24H21N3O3S MolecularWeight: 431.50684

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=CC=CC=C2NC(=O)CCN3C(=O)C4=CC=CC=C4C(=O)N3

Isomeric SMILES

C1=CC=C(C=C1)CSC2=CC=CC=C2NC(=O)CCN3C(=O)C4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C24H21N3O3S/c28-22(14-15-27-24(30)19-11-5-4-10-18(19)23(29)26-27)25-20-12-6-7-13-21(20)31-16-17-8-2-1-3-9-17/h1-13H,14-16H2,(H,25,28)(H,26,29)