3-[(1S)-2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanyl-6-methyl-1,2,4-triazin-5-olate

Systemtic Name: 3-[(1S)-2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanyl-6-methyl-1,2,4-triazin-5-olate Openeye Name: 3-[(1S)-2-(3,5-dimethylanilino)-2-oxo-1-phenyl-ethyl]sulfanyl-6-methyl-1,2,4-triazin-5-olate CAS Name: 3-[[(1S)-2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl]thio]-6-methyl-1,2,4-triazin-5-olate IUPAC Name: 3-[(1S)-2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl]sulfanyl-6-methyl-1,2,4-triazin-5-olate Traditional Name: 3-[[(1S)-2-(3,5-dimethylanilino)-2-keto-1-phenyl-ethyl]thio]-6-methyl-1,2,4-triazin-5-olate Formula: C20H19N4O2S- MolecularWeight: 379.45546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C(C2=CC=CC=C2)SC3=NC(=C(N=N3)C)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)[C@H](C2=CC=CC=C2)SC3=NC(=C(N=N3)C)[O-])C

InChI

InChI=1S/C20H20N4O2S/c1-12-9-13(2)11-16(10-12)21-19(26)17(15-7-5-4-6-8-15)27-20-22-18(25)14(3)23-24-20/h4-11,17H,1-3H3,(H,21,26)(H,22,24,25)/p-1/t17-/m0/s1