3-[(1S)-1,2-bis(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-1,2,4-triazin-5-olate

Systemtic Name: 3-[(1S)-1,2-bis(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-1,2,4-triazin-5-olate Openeye Name: 3-[(1S)-1,2-bis(4-methoxyphenyl)-2-oxo-ethyl]sulfanyl-6-methyl-1,2,4-triazin-5-olate CAS Name: 3-[[(1S)-1,2-bis(4-methoxyphenyl)-2-oxoethyl]thio]-6-methyl-1,2,4-triazin-5-olate IUPAC Name: 3-[(1S)-1,2-bis(4-methoxyphenyl)-2-oxoethyl]sulfanyl-6-methyl-1,2,4-triazin-5-olate Traditional Name: 3-[[(1S)-2-keto-1,2-bis(4-methoxyphenyl)ethyl]thio]-6-methyl-1,2,4-triazin-5-olate Formula: C20H18N3O4S- MolecularWeight: 396.43962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=N1)SC(C2=CC=C(C=C2)OC)C(=O)C3=CC=C(C=C3)OC)[O-]

Isomeric SMILES

CC1=C(N=C(N=N1)S[C@@H](C2=CC=C(C=C2)OC)C(=O)C3=CC=C(C=C3)OC)[O-]

InChI

InChI=1S/C20H19N3O4S/c1-12-19(25)21-20(23-22-12)28-18(14-6-10-16(27-3)11-7-14)17(24)13-4-8-15(26-2)9-5-13/h4-11,18H,1-3H3,(H,21,23,25)/p-1/t18-/m0/s1