1-(3-propan-2-yloxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)nonan-1-one

Systemtic Name: 1-(3-propan-2-yloxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)nonan-1-one Openeye Name: 1-[3-isopropoxy-5-(2-thienyl)-1,2,4-triazol-1-yl]nonan-1-one CAS Name: 1-(3-propan-2-yloxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)-1-nonanone IUPAC Name: 1-(3-propan-2-yloxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)nonan-1-one Traditional Name: 1-[3-isopropoxy-5-(2-thienyl)-1,2,4-triazol-1-yl]nonan-1-one Formula: C18H27N3O2S MolecularWeight: 349.49088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O2S/c1-4-5-6-7-8-9-12-16(22)21-17(15-11-10-13-24-15)19-18(20-21)23-14(2)3/h10-11,13-14H,4-9,12H2,1-3H3