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

Systemtic Name: 1-(3-propan-2-yloxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)heptan-1-one Openeye Name: 1-[3-isopropoxy-5-(2-thienyl)-1,2,4-triazol-1-yl]heptan-1-one CAS Name: 1-(3-propan-2-yloxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)-1-heptanone IUPAC Name: 1-(3-propan-2-yloxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)heptan-1-one Traditional Name: 1-[3-isopropoxy-5-(2-thienyl)-1,2,4-triazol-1-yl]heptan-1-one Formula: C16H23N3O2S MolecularWeight: 321.43772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O2S/c1-4-5-6-7-10-14(20)19-15(13-9-8-11-22-13)17-16(18-19)21-12(2)3/h8-9,11-12H,4-7,10H2,1-3H3