2-[(5-ethylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]-4-(phenylmethyl)phthalazin-1-one

Systemtic Name: 2-[(5-ethylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]-4-(phenylmethyl)phthalazin-1-one Openeye Name: 4-benzyl-2-[(5-ethylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]phthalazin-1-one CAS Name: 2-[[5-(ethylthio)-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-(phenylmethyl)-1-phthalazinone IUPAC Name: 4-benzyl-2-[(5-ethylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]phthalazin-1-one Traditional Name: 4-benzyl-2-[[5-(ethylthio)-4-phenyl-1,2,4-triazol-3-yl]methyl]phthalazin-1-one Formula: C26H23N5OS MolecularWeight: 453.55872

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(N1C2=CC=CC=C2)CN3C(=O)C4=CC=CC=C4C(=N3)CC5=CC=CC=C5

Isomeric SMILES

CCSC1=NN=C(N1C2=CC=CC=C2)CN3C(=O)C4=CC=CC=C4C(=N3)CC5=CC=CC=C5

InChI

InChI=1S/C26H23N5OS/c1-2-33-26-28-27-24(31(26)20-13-7-4-8-14-20)18-30-25(32)22-16-10-9-15-21(22)23(29-30)17-19-11-5-3-6-12-19/h3-16H,2,17-18H2,1H3