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

Systemtic Name: 6-methyl-3-[2-oxidanylidene-2-[(4-phenylazanylphenyl)amino]ethyl]sulfanyl-1,2,4-triazin-5-olate Openeye Name: 3-[2-(4-anilinoanilino)-2-oxo-ethyl]sulfanyl-6-methyl-1,2,4-triazin-5-olate CAS Name: 3-[[2-(4-anilinoanilino)-2-oxoethyl]thio]-6-methyl-1,2,4-triazin-5-olate IUPAC Name: 3-[2-(4-anilinoanilino)-2-oxoethyl]sulfanyl-6-methyl-1,2,4-triazin-5-olate Traditional Name: 3-[[2-(4-anilinoanilino)-2-keto-ethyl]thio]-6-methyl-1,2,4-triazin-5-olate Formula: C18H16N5O2S- MolecularWeight: 366.41694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=N1)SCC(=O)NC2=CC=C(C=C2)NC3=CC=CC=C3)[O-]

Isomeric SMILES

CC1=C(N=C(N=N1)SCC(=O)NC2=CC=C(C=C2)NC3=CC=CC=C3)[O-]

InChI

InChI=1S/C18H17N5O2S/c1-12-17(25)21-18(23-22-12)26-11-16(24)20-15-9-7-14(8-10-15)19-13-5-3-2-4-6-13/h2-10,19H,11H2,1H3,(H,20,24)(H,21,23,25)/p-1