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

Systemtic Name: 3-[2-[(4-iodophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-1,2,4-triazin-5-olate Openeye Name: 3-[2-(4-iodoanilino)-2-oxo-ethyl]sulfanyl-6-phenyl-1,2,4-triazin-5-olate CAS Name: 3-[[2-(4-iodoanilino)-2-oxoethyl]thio]-6-phenyl-1,2,4-triazin-5-olate IUPAC Name: 3-[2-(4-iodoanilino)-2-oxoethyl]sulfanyl-6-phenyl-1,2,4-triazin-5-olate Traditional Name: 3-[[2-(4-iodoanilino)-2-keto-ethyl]thio]-6-phenyl-1,2,4-triazin-5-olate Formula: C17H12IN4O2S- MolecularWeight: 463.27225

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N=C(N=N2)SCC(=O)NC3=CC=C(C=C3)I)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N=C(N=N2)SCC(=O)NC3=CC=C(C=C3)I)[O-]

InChI

InChI=1S/C17H13IN4O2S/c18-12-6-8-13(9-7-12)19-14(23)10-25-17-20-16(24)15(21-22-17)11-4-2-1-3-5-11/h1-9H,10H2,(H,19,23)(H,20,22,24)/p-1