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

Systemtic Name: 3-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]propanamide Openeye Name: 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[2-(3-thienylmethylsulfanyl)phenyl]propanamide CAS Name: 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[2-(3-thiophenylmethylthio)phenyl]propanamide IUPAC Name: 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]propanamide Traditional Name: 3-(1,4-diketo-3H-phthalazin-2-yl)-N-[2-(3-thenylthio)phenyl]propionamide Formula: C22H19N3O3S2 MolecularWeight: 437.53456

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)NN(C2=O)CCC(=O)NC3=CC=CC=C3SCC4=CSC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)NN(C2=O)CCC(=O)NC3=CC=CC=C3SCC4=CSC=C4

InChI

InChI=1S/C22H19N3O3S2/c26-20(9-11-25-22(28)17-6-2-1-5-16(17)21(27)24-25)23-18-7-3-4-8-19(18)30-14-15-10-12-29-13-15/h1-8,10,12-13H,9,11,14H2,(H,23,26)(H,24,27)