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

Systemtic Name: 3,3-dimethyl-1-(3-propan-2-yloxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)butan-1-one Openeye Name: 1-[3-isopropoxy-5-(2-thienyl)-1,2,4-triazol-1-yl]-3,3-dimethyl-butan-1-one CAS Name: 3,3-dimethyl-1-(3-propan-2-yloxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)-1-butanone IUPAC Name: 3,3-dimethyl-1-(3-propan-2-yloxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)butan-1-one Traditional Name: 1-[3-isopropoxy-5-(2-thienyl)-1,2,4-triazol-1-yl]-3,3-dimethyl-butan-1-one Formula: C15H21N3O2S MolecularWeight: 307.41114

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=NN(C(=N1)C2=CC=CS2)C(=O)CC(C)(C)C

Isomeric SMILES

CC(C)OC1=NN(C(=N1)C2=CC=CS2)C(=O)CC(C)(C)C

InChI

InChI=1S/C15H21N3O2S/c1-10(2)20-14-16-13(11-7-6-8-21-11)18(17-14)12(19)9-15(3,4)5/h6-8,10H,9H2,1-5H3