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

Systemtic Name: 3-[4-(4-bromophenyl)-4-oxidanylidene-butyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[4-(4-bromophenyl)-4-oxo-butyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[4-(4-bromophenyl)-4-oxobutyl]thio]-4-propyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[4-(4-bromophenyl)-4-oxobutyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[4-(4-bromophenyl)-4-keto-butyl]thio]-4-propyl-1H-1,2,4-triazol-5-one Formula: C15H18BrN3O2S MolecularWeight: 384.29132

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCCCC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CCCN1C(=O)NN=C1SCCCC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C15H18BrN3O2S/c1-2-9-19-14(21)17-18-15(19)22-10-3-4-13(20)11-5-7-12(16)8-6-11/h5-8H,2-4,9-10H2,1H3,(H,17,21)