1-(3-azanyl-5-butylsulfanyl-1,2,4-triazol-4-yl)-2-(3-methylphenoxy)ethanone

Systemtic Name: 1-(3-azanyl-5-butylsulfanyl-1,2,4-triazol-4-yl)-2-(3-methylphenoxy)ethanone Openeye Name: 1-(3-amino-5-butylsulfanyl-1,2,4-triazol-4-yl)-2-(3-methylphenoxy)ethanone CAS Name: 1-[3-amino-5-(butylthio)-1,2,4-triazol-4-yl]-2-(3-methylphenoxy)ethanone IUPAC Name: 1-(3-amino-5-butylsulfanyl-1,2,4-triazol-4-yl)-2-(3-methylphenoxy)ethanone Traditional Name: 1-[3-amino-5-(butylthio)-1,2,4-triazol-4-yl]-2-(3-methylphenoxy)ethanone Formula: C15H20N4O2S MolecularWeight: 320.4099

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NN=C(N1C(=O)COC2=CC=CC(=C2)C)N

Isomeric SMILES

CCCCSC1=NN=C(N1C(=O)COC2=CC=CC(=C2)C)N

InChI

InChI=1S/C15H20N4O2S/c1-3-4-8-22-15-18-17-14(16)19(15)13(20)10-21-12-7-5-6-11(2)9-12/h5-7,9H,3-4,8,10H2,1-2H3,(H2,16,17)