1-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-3,3-dimethyl-butan-2-one

Systemtic Name: 1-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-3,3-dimethyl-butan-2-one Openeye Name: 1-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethyl-butan-2-one CAS Name: 1-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-3,3-dimethyl-2-butanone IUPAC Name: 1-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-3,3-dimethylbutan-2-one Traditional Name: 1-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-3,3-dimethyl-butan-2-one Formula: C14H19N3OS2 MolecularWeight: 309.45016

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C(C)(C)C)C2=CC=CS2

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C(C)(C)C)C2=CC=CS2

InChI

InChI=1S/C14H19N3OS2/c1-5-17-12(10-7-6-8-19-10)15-16-13(17)20-9-11(18)14(2,3)4/h6-8H,5,9H2,1-4H3