3-phenacylsulfanyl-4-propyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-phenacylsulfanyl-4-propyl-1H-1,2,4-triazol-5-one Openeye Name: 3-phenacylsulfanyl-4-propyl-1H-1,2,4-triazol-5-one CAS Name: 3-(phenacylthio)-4-propyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-phenacylsulfanyl-4-propyl-1H-1,2,4-triazol-5-one Traditional Name: 3-(phenacylthio)-4-propyl-1H-1,2,4-triazol-5-one Formula: C13H15N3O2S MolecularWeight: 277.3421

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCN1C(=O)NN=C1SCC(=O)C2=CC=CC=C2

InChI

InChI=1S/C13H15N3O2S/c1-2-8-16-12(18)14-15-13(16)19-9-11(17)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,14,18)