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

Systemtic Name: 3,3-dimethyl-1-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]butan-2-one Openeye Name: 3,3-dimethyl-1-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanyl]butan-2-one CAS Name: 3,3-dimethyl-1-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]-2-butanone IUPAC Name: 3,3-dimethyl-1-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]butan-2-one Traditional Name: 3,3-dimethyl-1-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]butan-2-one Formula: C12H15N3OS2 MolecularWeight: 281.397

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NNC(=N1)C2=CC=CS2

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NNC(=N1)C2=CC=CS2

InChI

InChI=1S/C12H15N3OS2/c1-12(2,3)9(16)7-18-11-13-10(14-15-11)8-5-4-6-17-8/h4-6H,7H2,1-3H3,(H,13,14,15)