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

Systemtic Name: 3-[4-(4-bromophenyl)-4-oxidanylidene-butyl]sulfanyl-4-cyclopropyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[4-(4-bromophenyl)-4-oxo-butyl]sulfanyl-4-cyclopropyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[4-(4-bromophenyl)-4-oxobutyl]thio]-4-cyclopropyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[4-(4-bromophenyl)-4-oxobutyl]sulfanyl-4-cyclopropyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[4-(4-bromophenyl)-4-keto-butyl]thio]-4-cyclopropyl-1H-1,2,4-triazol-5-one Formula: C15H16BrN3O2S MolecularWeight: 382.27544

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=O)NN=C2SCCCC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1CC1N2C(=O)NN=C2SCCCC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C15H16BrN3O2S/c16-11-5-3-10(4-6-11)13(20)2-1-9-22-15-18-17-14(21)19(15)12-7-8-12/h3-6,12H,1-2,7-9H2,(H,17,21)