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

Systemtic Name: 2-(2-azanylethylsulfanyl)-N-[3-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl]ethanamide hydrochloride Openeye Name: 2-(2-aminoethylsulfanyl)-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]acetamide hydrochloride CAS Name: 2-(2-aminoethylthio)-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]acetamide hydrochloride IUPAC Name: 2-(2-aminoethylsulfanyl)-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]acetamide hydrochloride Traditional Name: 2-(2-aminoethylthio)-N-[3-(4-keto-3H-phthalazin-1-yl)phenyl]acetamide hydrochloride Formula: C18H19ClN4O2S MolecularWeight: 390.88706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O2S.ClH/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);1H