1-(5-methylsulfanyl-3-phenyl-1,2,4-triazol-1-yl)butan-1-one

Systemtic Name: 1-(5-methylsulfanyl-3-phenyl-1,2,4-triazol-1-yl)butan-1-one Openeye Name: 1-(5-methylsulfanyl-3-phenyl-1,2,4-triazol-1-yl)butan-1-one CAS Name: 1-[5-(methylthio)-3-phenyl-1,2,4-triazol-1-yl]-1-butanone IUPAC Name: 1-(5-methylsulfanyl-3-phenyl-1,2,4-triazol-1-yl)butan-1-one Traditional Name: 1-[5-(methylthio)-3-phenyl-1,2,4-triazol-1-yl]butan-1-one Formula: C13H15N3OS MolecularWeight: 261.3427

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1C(=NC(=N1)C2=CC=CC=C2)SC

Isomeric SMILES

CCCC(=O)N1C(=NC(=N1)C2=CC=CC=C2)SC

InChI

InChI=1S/C13H15N3OS/c1-3-7-11(17)16-13(18-2)14-12(15-16)10-8-5-4-6-9-10/h4-6,8-9H,3,7H2,1-2H3