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

Systemtic Name: 6-[(3-bromophenyl)methyl]-3-phenacylsulfanyl-2H-1,2,4-triazin-5-one Openeye Name: 6-[(3-bromophenyl)methyl]-3-phenacylsulfanyl-2H-1,2,4-triazin-5-one CAS Name: 6-[(3-bromophenyl)methyl]-3-(phenacylthio)-2H-1,2,4-triazin-5-one IUPAC Name: 6-[(3-bromophenyl)methyl]-3-phenacylsulfanyl-2H-1,2,4-triazin-5-one Traditional Name: 6-(3-bromobenzyl)-3-(phenacylthio)-2H-1,2,4-triazin-5-one Formula: C18H14BrN3O2S MolecularWeight: 416.29166

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CSC2=NC(=O)C(=NN2)CC3=CC(=CC=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CSC2=NC(=O)C(=NN2)CC3=CC(=CC=C3)Br

InChI

InChI=1S/C18H14BrN3O2S/c19-14-8-4-5-12(9-14)10-15-17(24)20-18(22-21-15)25-11-16(23)13-6-2-1-3-7-13/h1-9H,10-11H2,(H,20,22,24)