4-(3-methoxypropyl)-3-(phenylmethylsulfanyl)-1H-1,2,4-triazol-5-one

Systemtic Name: 4-(3-methoxypropyl)-3-(phenylmethylsulfanyl)-1H-1,2,4-triazol-5-one Openeye Name: 3-benzylsulfanyl-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one CAS Name: 4-(3-methoxypropyl)-3-(phenylmethylthio)-1H-1,2,4-triazol-5-one IUPAC Name: 3-benzylsulfanyl-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one Traditional Name: 3-(benzylthio)-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one Formula: C13H17N3O2S MolecularWeight: 279.35798

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)NN=C1SCC2=CC=CC=C2

Isomeric SMILES

COCCCN1C(=O)NN=C1SCC2=CC=CC=C2

InChI

InChI=1S/C13H17N3O2S/c1-18-9-5-8-16-12(17)14-15-13(16)19-10-11-6-3-2-4-7-11/h2-4,6-7H,5,8-10H2,1H3,(H,14,17)