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

Systemtic Name: 3-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]azepan-2-one Openeye Name: 3-[[4-methyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one CAS Name: 3-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-2-azepanone IUPAC Name: 3-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]azepan-2-one Traditional Name: 3-[[4-methyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]azepan-2-one Formula: C13H16N4OS2 MolecularWeight: 308.42234

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SC2CCCCNC2=O)C3=CC=CS3

Isomeric SMILES

CN1C(=NN=C1SC2CCCCNC2=O)C3=CC=CS3

InChI

InChI=1S/C13H16N4OS2/c1-17-11(9-6-4-8-19-9)15-16-13(17)20-10-5-2-3-7-14-12(10)18/h4,6,8,10H,2-3,5,7H2,1H3,(H,14,18)