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

Systemtic Name: 3-[(4-bromophenyl)methylsulfanyl]-4-cyclopropyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[(4-bromophenyl)methylsulfanyl]-4-cyclopropyl-1H-1,2,4-triazol-5-one CAS Name: 3-[(4-bromophenyl)methylthio]-4-cyclopropyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(4-bromophenyl)methylsulfanyl]-4-cyclopropyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[(4-bromobenzyl)thio]-4-cyclopropyl-1H-1,2,4-triazol-5-one Formula: C12H12BrN3OS MolecularWeight: 326.21218

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=O)NN=C2SCC3=CC=C(C=C3)Br

Isomeric SMILES

C1CC1N2C(=O)NN=C2SCC3=CC=C(C=C3)Br

InChI

InChI=1S/C12H12BrN3OS/c13-9-3-1-8(2-4-9)7-18-12-15-14-11(17)16(12)10-5-6-10/h1-4,10H,5-7H2,(H,14,17)