6-[(3-bromophenyl)methyl]-3-prop-2-enylsulfanyl-2H-1,2,4-triazin-5-one

Systemtic Name: 6-[(3-bromophenyl)methyl]-3-prop-2-enylsulfanyl-2H-1,2,4-triazin-5-one Openeye Name: 3-allylsulfanyl-6-[(3-bromophenyl)methyl]-2H-1,2,4-triazin-5-one CAS Name: 6-[(3-bromophenyl)methyl]-3-(prop-2-enylthio)-2H-1,2,4-triazin-5-one IUPAC Name: 6-[(3-bromophenyl)methyl]-3-prop-2-enylsulfanyl-2H-1,2,4-triazin-5-one Traditional Name: 3-(allylthio)-6-(3-bromobenzyl)-2H-1,2,4-triazin-5-one Formula: C13H12BrN3OS MolecularWeight: 338.22288

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NC(=O)C(=NN1)CC2=CC(=CC=C2)Br

Isomeric SMILES

C=CCSC1=NC(=O)C(=NN1)CC2=CC(=CC=C2)Br

InChI

InChI=1S/C13H12BrN3OS/c1-2-6-19-13-15-12(18)11(16-17-13)8-9-4-3-5-10(14)7-9/h2-5,7H,1,6,8H2,(H,15,17,18)