1-(3-butoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)-3,5,5-trimethyl-hexan-1-one

Systemtic Name: 1-(3-butoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)-3,5,5-trimethyl-hexan-1-one Openeye Name: 1-[3-butoxy-5-(2-thienyl)-1,2,4-triazol-1-yl]-3,5,5-trimethyl-hexan-1-one CAS Name: 1-(3-butoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)-3,5,5-trimethyl-1-hexanone IUPAC Name: 1-(3-butoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)-3,5,5-trimethylhexan-1-one Traditional Name: 1-[3-butoxy-5-(2-thienyl)-1,2,4-triazol-1-yl]-3,5,5-trimethyl-hexan-1-one Formula: C19H29N3O2S MolecularWeight: 363.51746

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NN(C(=N1)C2=CC=CS2)C(=O)CC(C)CC(C)(C)C

Isomeric SMILES

CCCCOC1=NN(C(=N1)C2=CC=CS2)C(=O)CC(C)CC(C)(C)C

InChI

InChI=1S/C19H29N3O2S/c1-6-7-10-24-18-20-17(15-9-8-11-25-15)22(21-18)16(23)12-14(2)13-19(3,4)5/h8-9,11,14H,6-7,10,12-13H2,1-5H3