3-[[1-(4-bromophenyl)-4-phenyl-6-sulfanylidene-1,3,5-triazin-2-yl]sulfanyl]propanoic acid

Systemtic Name: 3-[[1-(4-bromophenyl)-4-phenyl-6-sulfanylidene-1,3,5-triazin-2-yl]sulfanyl]propanoic acid Openeye Name: 3-[[1-(4-bromophenyl)-4-phenyl-6-thioxo-1,3,5-triazin-2-yl]sulfanyl]propanoic acid CAS Name: 3-[[1-(4-bromophenyl)-4-phenyl-6-sulfanylidene-1,3,5-triazin-2-yl]thio]propanoic acid IUPAC Name: 3-[[1-(4-bromophenyl)-4-phenyl-6-sulfanylidene-1,3,5-triazin-2-yl]sulfanyl]propanoic acid Traditional Name: 3-[[1-(4-bromophenyl)-4-phenyl-6-thioxo-s-triazin-2-yl]thio]propionic acid Formula: C18H14BrN3O2S2 MolecularWeight: 448.35666

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=S)N(C(=N2)SCCC(=O)O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=S)N(C(=N2)SCCC(=O)O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H14BrN3O2S2/c19-13-6-8-14(9-7-13)22-17(25)20-16(12-4-2-1-3-5-12)21-18(22)26-11-10-15(23)24/h1-9H,10-11H2,(H,23,24)