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

Systemtic Name: 1-(3-methoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)-3,5,5-trimethyl-hexan-1-one Openeye Name: 1-[3-methoxy-5-(2-thienyl)-1,2,4-triazol-1-yl]-3,5,5-trimethyl-hexan-1-one CAS Name: 1-(3-methoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)-3,5,5-trimethyl-1-hexanone IUPAC Name: 1-(3-methoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)-3,5,5-trimethylhexan-1-one Traditional Name: 1-[3-methoxy-5-(2-thienyl)-1,2,4-triazol-1-yl]-3,5,5-trimethyl-hexan-1-one Formula: C16H23N3O2S MolecularWeight: 321.43772

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)N1C(=NC(=N1)OC)C2=CC=CS2)CC(C)(C)C

Isomeric SMILES

CC(CC(=O)N1C(=NC(=N1)OC)C2=CC=CS2)CC(C)(C)C

InChI

InChI=1S/C16H23N3O2S/c1-11(10-16(2,3)4)9-13(20)19-14(12-7-6-8-22-12)17-15(18-19)21-5/h6-8,11H,9-10H2,1-5H3