2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]cyclohexan-1-one

Systemtic Name: 2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]cyclohexan-1-one Openeye Name: 2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]cyclohexanone CAS Name: 2-[[5-[(1,3-benzothiazol-2-ylthio)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]-1-cyclohexanone IUPAC Name: 2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]cyclohexan-1-one Traditional Name: 2-[[5-[(1,3-benzothiazol-2-ylthio)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]cyclohexanone Formula: C18H20N4OS3 MolecularWeight: 404.5726

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC2CCCCC2=O)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCN1C(=NN=C1SC2CCCCC2=O)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H20N4OS3/c1-2-22-16(11-24-18-19-12-7-3-5-9-14(12)26-18)20-21-17(22)25-15-10-6-4-8-13(15)23/h3,5,7,9,15H,2,4,6,8,10-11H2,1H3