3-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-2H-1,2,4-triazin-5-one

Systemtic Name: 3-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-2H-1,2,4-triazin-5-one Openeye Name: 3-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-6-phenyl-2H-1,2,4-triazin-5-one CAS Name: 3-[[2-(4-bromophenyl)-2-oxoethyl]thio]-6-phenyl-2H-1,2,4-triazin-5-one IUPAC Name: 3-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-6-phenyl-2H-1,2,4-triazin-5-one Traditional Name: 3-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-6-phenyl-2H-1,2,4-triazin-5-one Formula: C17H12BrN3O2S MolecularWeight: 402.26508

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NNC(=NC2=O)SCC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)C2=NNC(=NC2=O)SCC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C17H12BrN3O2S/c18-13-8-6-11(7-9-13)14(22)10-24-17-19-16(23)15(20-21-17)12-4-2-1-3-5-12/h1-9H,10H2,(H,19,21,23)