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

Systemtic Name: 6-methyl-3-[2-[(2-methyl-6-propan-2-yl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazin-5-olate Openeye Name: 3-[2-(2-isopropyl-6-methyl-anilino)-2-oxo-ethyl]sulfanyl-6-methyl-1,2,4-triazin-5-olate CAS Name: 6-methyl-3-[[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]thio]-1,2,4-triazin-5-olate IUPAC Name: 6-methyl-3-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]sulfanyl-1,2,4-triazin-5-olate Traditional Name: 3-[[2-(2-isopropyl-6-methyl-anilino)-2-keto-ethyl]thio]-6-methyl-1,2,4-triazin-5-olate Formula: C16H19N4O2S- MolecularWeight: 331.41266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)C)NC(=O)CSC2=NC(=C(N=N2)C)[O-]

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)C)NC(=O)CSC2=NC(=C(N=N2)C)[O-]

InChI

InChI=1S/C16H20N4O2S/c1-9(2)12-7-5-6-10(3)14(12)17-13(21)8-23-16-18-15(22)11(4)19-20-16/h5-7,9H,8H2,1-4H3,(H,17,21)(H,18,20,22)/p-1