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

Systemtic Name: 2-[[4-(1-phenylethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one Openeye Name: 2-[[4-(1-phenylethyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one CAS Name: 2-[[4-(1-phenylethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-1-phthalazinone IUPAC Name: 2-[[4-(1-phenylethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one Traditional Name: 2-[[4-(1-phenylethyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one Formula: C19H17N5OS MolecularWeight: 363.43618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N5OS/c1-13(14-7-3-2-4-8-14)24-17(21-22-19(24)26)12-23-18(25)16-10-6-5-9-15(16)11-20-23/h2-11,13H,12H2,1H3,(H,22,26)