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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC2=CC=CC=C2OC

Isomeric SMILES

CCCN1C(=O)NN=C1SCC2=CC=CC=C2OC

InChI

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