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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C=C(NN2C(=O)CSC3=NC(=O)C=C(N3)N)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1=CC=C(C=C1)[C@@H]2C=C(NN2C(=O)CSC3=NC(=O)C=C(N3)N)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C25H21N5O2S/c26-22-14-23(31)28-25(27-22)33-15-24(32)30-21(17-7-2-1-3-8-17)13-20(29-30)19-11-10-16-6-4-5-9-18(16)12-19/h1-14,21,29H,15H2,(H3,26,27,28,31)/t21-/m0/s1