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

Systemtic Name: 4-butyl-3-[(2-methoxyphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-one Openeye Name: 4-butyl-3-[(2-methoxyphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-one CAS Name: 4-butyl-3-[(2-methoxyphenyl)methylthio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-butyl-3-[(2-methoxyphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-one Traditional Name: 4-butyl-3-(o-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=C2OC

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC2=CC=CC=C2OC

InChI

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