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

Systemtic Name: 3,5,5-trimethyl-1-(3-propoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)hexan-1-one Openeye Name: 3,5,5-trimethyl-1-[3-propoxy-5-(2-thienyl)-1,2,4-triazol-1-yl]hexan-1-one CAS Name: 3,5,5-trimethyl-1-(3-propoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)-1-hexanone IUPAC Name: 3,5,5-trimethyl-1-(3-propoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)hexan-1-one Traditional Name: 3,5,5-trimethyl-1-[3-propoxy-5-(2-thienyl)-1,2,4-triazol-1-yl]hexan-1-one Formula: C18H27N3O2S MolecularWeight: 349.49088

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=NN(C(=N1)C2=CC=CS2)C(=O)CC(C)CC(C)(C)C

Isomeric SMILES

CCCOC1=NN(C(=N1)C2=CC=CS2)C(=O)CC(C)CC(C)(C)C

InChI

InChI=1S/C18H27N3O2S/c1-6-9-23-17-19-16(14-8-7-10-24-14)21(20-17)15(22)11-13(2)12-18(3,4)5/h7-8,10,13H,6,9,11-12H2,1-5H3