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

Systemtic Name: 3,3-dimethyl-1-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]butan-2-one Openeye Name: 3,3-dimethyl-1-[[4-methyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]butan-2-one CAS Name: 3,3-dimethyl-1-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-2-butanone IUPAC Name: 3,3-dimethyl-1-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]butan-2-one Traditional Name: 3,3-dimethyl-1-[[4-methyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]butan-2-one Formula: C13H17N3OS2 MolecularWeight: 295.42358

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NN=C(N1C)C2=CC=CS2

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NN=C(N1C)C2=CC=CS2

InChI

InChI=1S/C13H17N3OS2/c1-13(2,3)10(17)8-19-12-15-14-11(16(12)4)9-6-5-7-18-9/h5-7H,8H2,1-4H3