3-(2-methylprop-2-enylsulfanyl)-N-[3-(4-oxidanylidene-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)phenyl]propanamide

Systemtic Name: 3-(2-methylprop-2-enylsulfanyl)-N-[3-(4-oxidanylidene-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)phenyl]propanamide Openeye Name: 3-(2-methylallylsulfanyl)-N-[3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)phenyl]propanamide CAS Name: 3-(2-methylprop-2-enylthio)-N-[3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)phenyl]propanamide IUPAC Name: 3-(2-methylprop-2-enylsulfanyl)-N-[3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)phenyl]propanamide Traditional Name: N-[3-(4-keto-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)phenyl]-3-(2-methylallylthio)propionamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CSCCC(=O)NC1=CC=CC(=C1)C2=NNC(=O)C3=C2CCCC3

Isomeric SMILES

CC(=C)CSCCC(=O)NC1=CC=CC(=C1)C2=NNC(=O)C3=C2CCCC3

InChI

InChI=1S/C21H25N3O2S/c1-14(2)13-27-11-10-19(25)22-16-7-5-6-15(12-16)20-17-8-3-4-9-18(17)21(26)24-23-20/h5-7,12H,1,3-4,8-11,13H2,2H3,(H,22,25)(H,24,26)