3-[(3-methoxyphenyl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[(3-methoxyphenyl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[(3-methoxyphenyl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one CAS Name: 3-[(3-methoxyphenyl)methylthio]-4-propyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(3-methoxyphenyl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one Traditional Name: 3-(m-anisylthio)-4-propyl-1H-1,2,4-triazol-5-one Formula: C13H17N3O2S MolecularWeight: 279.35798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC2=CC(=CC=C2)OC

Isomeric SMILES

CCCN1C(=O)NN=C1SCC2=CC(=CC=C2)OC

InChI

InChI=1S/C13H17N3O2S/c1-3-7-16-12(17)14-15-13(16)19-9-10-5-4-6-11(8-10)18-2/h4-6,8H,3,7,9H2,1-2H3,(H,14,17)