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

Systemtic Name: 2-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]phthalazin-1-one Openeye Name: 2-[(4-phenyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]phthalazin-1-one CAS Name: 2-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-1-phthalazinone IUPAC Name: 2-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]phthalazin-1-one Traditional Name: 2-[(4-phenyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]phthalazin-1-one Formula: C17H13N5OS MolecularWeight: 335.38302

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NNC2=S)CN3C(=O)C4=CC=CC=C4C=N3

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NNC2=S)CN3C(=O)C4=CC=CC=C4C=N3

InChI

InChI=1S/C17H13N5OS/c23-16-14-9-5-4-6-12(14)10-18-21(16)11-15-19-20-17(24)22(15)13-7-2-1-3-8-13/h1-10H,11H2,(H,20,24)