2-ethylsulfanyl-N-[5-(4-methylphenyl)benzimidazolo[2,1-a]phthalazin-10-yl]ethanamide

Systemtic Name: 2-ethylsulfanyl-N-[5-(4-methylphenyl)benzimidazolo[2,1-a]phthalazin-10-yl]ethanamide Openeye Name: 2-ethylsulfanyl-N-[5-(p-tolyl)benzimidazolo[2,1-a]phthalazin-10-yl]acetamide CAS Name: 2-(ethylthio)-N-[5-(4-methylphenyl)-10-benzimidazolo[2,1-a]phthalazinyl]acetamide IUPAC Name: 2-ethylsulfanyl-N-[5-(4-methylphenyl)benzimidazolo[2,1-a]phthalazin-10-yl]acetamide Traditional Name: 2-(ethylthio)-N-[5-(p-tolyl)benzimidazolo[2,1-a]phthalazin-10-yl]acetamide Formula: C25H22N4OS MolecularWeight: 426.53338

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Descriptors Computed from Structure

Canonical SMILES:

CCSCC(=O)NC1=CC2=C(C=C1)N3C(=N2)C4=CC=CC=C4C(=N3)C5=CC=C(C=C5)C

Isomeric SMILES

CCSCC(=O)NC1=CC2=C(C=C1)N3C(=N2)C4=CC=CC=C4C(=N3)C5=CC=C(C=C5)C

InChI

InChI=1S/C25H22N4OS/c1-3-31-15-23(30)26-18-12-13-22-21(14-18)27-25-20-7-5-4-6-19(20)24(28-29(22)25)17-10-8-16(2)9-11-17/h4-14H,3,15H2,1-2H3,(H,26,30)