6-methyl-3-[2-[(3S)-5-naphthalen-2-yl-3-phenyl-1,3-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]sulfanyl-2H-1,2,4-triazin-5-one

Systemtic Name: 6-methyl-3-[2-[(3S)-5-naphthalen-2-yl-3-phenyl-1,3-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]sulfanyl-2H-1,2,4-triazin-5-one Openeye Name: 6-methyl-3-[2-[(3S)-5-(2-naphthyl)-3-phenyl-1,3-dihydropyrazol-2-yl]-2-oxo-ethyl]sulfanyl-2H-1,2,4-triazin-5-one CAS Name: 6-methyl-3-[[2-[(3S)-5-(2-naphthalenyl)-3-phenyl-1,3-dihydropyrazol-2-yl]-2-oxoethyl]thio]-2H-1,2,4-triazin-5-one IUPAC Name: 6-methyl-3-[2-[(3S)-5-naphthalen-2-yl-3-phenyl-1,3-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-2H-1,2,4-triazin-5-one Traditional Name: 3-[[2-keto-2-[(5S)-3-(2-naphthyl)-5-phenyl-3-pyrazolin-1-yl]ethyl]thio]-6-methyl-2H-1,2,4-triazin-5-one Formula: C25H21N5O2S MolecularWeight: 455.53154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=NC1=O)SCC(=O)N2C(C=C(N2)C3=CC4=CC=CC=C4C=C3)C5=CC=CC=C5

Isomeric SMILES

CC1=NNC(=NC1=O)SCC(=O)N2[C@@H](C=C(N2)C3=CC4=CC=CC=C4C=C3)C5=CC=CC=C5

InChI

InChI=1S/C25H21N5O2S/c1-16-24(32)26-25(28-27-16)33-15-23(31)30-22(18-8-3-2-4-9-18)14-21(29-30)20-12-11-17-7-5-6-10-19(17)13-20/h2-14,22,29H,15H2,1H3,(H,26,28,32)/t22-/m0/s1