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

Systemtic Name: 4-butyl-3-[(3-methoxyphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-one Openeye Name: 4-butyl-3-[(3-methoxyphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-one CAS Name: 4-butyl-3-[(3-methoxyphenyl)methylthio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-butyl-3-[(3-methoxyphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-one Traditional Name: 4-butyl-3-(m-anisylthio)-1H-1,2,4-triazol-5-one Formula: C14H19N3O2S MolecularWeight: 293.38456

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC2=CC(=CC=C2)OC

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC2=CC(=CC=C2)OC

InChI

InChI=1S/C14H19N3O2S/c1-3-4-8-17-13(18)15-16-14(17)20-10-11-6-5-7-12(9-11)19-2/h5-7,9H,3-4,8,10H2,1-2H3,(H,15,18)