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

Systemtic Name: 3-[2-[(4-iodanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-1,2,4-triazin-5-olate Openeye Name: 3-[2-(4-iodo-2-methyl-anilino)-2-oxo-ethyl]sulfanyl-6-phenyl-1,2,4-triazin-5-olate CAS Name: 3-[[2-(4-iodo-2-methylanilino)-2-oxoethyl]thio]-6-phenyl-1,2,4-triazin-5-olate IUPAC Name: 3-[2-(4-iodo-2-methylanilino)-2-oxoethyl]sulfanyl-6-phenyl-1,2,4-triazin-5-olate Traditional Name: 3-[[2-(4-iodo-2-methyl-anilino)-2-keto-ethyl]thio]-6-phenyl-1,2,4-triazin-5-olate Formula: C18H14IN4O2S- MolecularWeight: 477.29883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)NC(=O)CSC2=NC(=C(N=N2)C3=CC=CC=C3)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)I)NC(=O)CSC2=NC(=C(N=N2)C3=CC=CC=C3)[O-]

InChI

InChI=1S/C18H15IN4O2S/c1-11-9-13(19)7-8-14(11)20-15(24)10-26-18-21-17(25)16(22-23-18)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,20,24)(H,21,23,25)/p-1