4-butyl-3-phenacylsulfanyl-1H-1,2,4-triazol-5-one

Systemtic Name: 4-butyl-3-phenacylsulfanyl-1H-1,2,4-triazol-5-one Openeye Name: 4-butyl-3-phenacylsulfanyl-1H-1,2,4-triazol-5-one CAS Name: 4-butyl-3-(phenacylthio)-1H-1,2,4-triazol-5-one IUPAC Name: 4-butyl-3-phenacylsulfanyl-1H-1,2,4-triazol-5-one Traditional Name: 4-butyl-3-(phenacylthio)-1H-1,2,4-triazol-5-one Formula: C14H17N3O2S MolecularWeight: 291.36868

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC(=O)C2=CC=CC=C2

InChI

InChI=1S/C14H17N3O2S/c1-2-3-9-17-13(19)15-16-14(17)20-10-12(18)11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3,(H,15,19)