3-[1-(4-bromophenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[1-(4-bromophenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[2-(4-bromophenyl)-1-methyl-2-oxo-ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[1-(4-bromophenyl)-1-oxopropan-2-yl]thio]-4-propyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[1-(4-bromophenyl)-1-oxopropan-2-yl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-(4-bromophenyl)-2-keto-1-methyl-ethyl]thio]-4-propyl-1H-1,2,4-triazol-5-one Formula: C14H16BrN3O2S MolecularWeight: 370.26474

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SC(C)C(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CCCN1C(=O)NN=C1SC(C)C(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C14H16BrN3O2S/c1-3-8-18-13(20)16-17-14(18)21-9(2)12(19)10-4-6-11(15)7-5-10/h4-7,9H,3,8H2,1-2H3,(H,16,20)