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

Systemtic Name: 3-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Openeye Name: 3-[[5-(2-thienylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]butan-2-one CAS Name: 3-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]thio]-2-butanone IUPAC Name: 3-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Traditional Name: 3-[[5-(2-thenyl)-1H-1,2,4-triazol-3-yl]thio]butan-2-one Formula: C11H13N3OS2 MolecularWeight: 267.37042

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)SC1=NNC(=N1)CC2=CC=CS2

Isomeric SMILES

CC(C(=O)C)SC1=NNC(=N1)CC2=CC=CS2

InChI

InChI=1S/C11H13N3OS2/c1-7(15)8(2)17-11-12-10(13-14-11)6-9-4-3-5-16-9/h3-5,8H,6H2,1-2H3,(H,12,13,14)