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

Systemtic Name: 2-[2-[4-(1-phenylethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]ethyl]phthalazin-1-one Openeye Name: 2-[2-[4-(1-phenylethyl)-5-thioxo-1H-1,2,4-triazol-3-yl]ethyl]phthalazin-1-one CAS Name: 2-[2-[4-(1-phenylethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]ethyl]-1-phthalazinone IUPAC Name: 2-[2-[4-(1-phenylethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]ethyl]phthalazin-1-one Traditional Name: 2-[2-[4-(1-phenylethyl)-5-thioxo-1H-1,2,4-triazol-3-yl]ethyl]phthalazin-1-one Formula: C20H19N5OS MolecularWeight: 377.46276

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2C(=NNC2=S)CCN3C(=O)C4=CC=CC=C4C=N3

Isomeric SMILES

CC(C1=CC=CC=C1)N2C(=NNC2=S)CCN3C(=O)C4=CC=CC=C4C=N3

InChI

InChI=1S/C20H19N5OS/c1-14(15-7-3-2-4-8-15)25-18(22-23-20(25)27)11-12-24-19(26)17-10-6-5-9-16(17)13-21-24/h2-10,13-14H,11-12H2,1H3,(H,23,27)