3-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-(4-bromophenyl)-2-oxoethyl]thio]-4-phenethyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-4-phenethyl-1H-1,2,4-triazol-5-one Formula: C18H16BrN3O2S MolecularWeight: 418.30754

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)NN=C2SCC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)NN=C2SCC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H16BrN3O2S/c19-15-8-6-14(7-9-15)16(23)12-25-18-21-20-17(24)22(18)11-10-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,20,24)