6-[2,5-bis(chloranyl)thiophen-3-yl]-3-phenacylsulfanyl-1,2,4-triazin-5-olate

Systemtic Name: 6-[2,5-bis(chloranyl)thiophen-3-yl]-3-phenacylsulfanyl-1,2,4-triazin-5-olate Openeye Name: 6-(2,5-dichloro-3-thienyl)-3-phenacylsulfanyl-1,2,4-triazin-5-olate CAS Name: 6-(2,5-dichloro-3-thiophenyl)-3-(phenacylthio)-1,2,4-triazin-5-olate IUPAC Name: 6-(2,5-dichlorothiophen-3-yl)-3-phenacylsulfanyl-1,2,4-triazin-5-olate Traditional Name: 6-(2,5-dichloro-3-thienyl)-3-(phenacylthio)-1,2,4-triazin-5-olate Formula: C15H8Cl2N3O2S2- MolecularWeight: 397.27892

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CSC2=NC(=C(N=N2)C3=C(SC(=C3)Cl)Cl)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CSC2=NC(=C(N=N2)C3=C(SC(=C3)Cl)Cl)[O-]

InChI

InChI=1S/C15H9Cl2N3O2S2/c16-11-6-9(13(17)24-11)12-14(22)18-15(20-19-12)23-7-10(21)8-4-2-1-3-5-8/h1-6H,7H2,(H,18,20,22)/p-1