2-(2-azanylethylsulfanyl)-N-[3-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl]ethanamide

Systemtic Name: 2-(2-azanylethylsulfanyl)-N-[3-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl]ethanamide Openeye Name: 2-(2-aminoethylsulfanyl)-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]acetamide CAS Name: 2-(2-aminoethylthio)-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]acetamide IUPAC Name: 2-(2-aminoethylsulfanyl)-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]acetamide Traditional Name: 2-(2-aminoethylthio)-N-[3-(4-keto-3H-phthalazin-1-yl)phenyl]acetamide Formula: C18H18N4O2S MolecularWeight: 354.42612

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NNC2=O)C3=CC(=CC=C3)NC(=O)CSCCN

Isomeric SMILES

C1=CC=C2C(=C1)C(=NNC2=O)C3=CC(=CC=C3)NC(=O)CSCCN

InChI

InChI=1S/C18H18N4O2S/c19-8-9-25-11-16(23)20-13-5-3-4-12(10-13)17-14-6-1-2-7-15(14)18(24)22-21-17/h1-7,10H,8-9,11,19H2,(H,20,23)(H,22,24)