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

Systemtic Name: 2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]cyclohexan-1-one Openeye Name: 2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]cyclohexanone CAS Name: 2-[[5-[(1,3-benzothiazol-2-ylthio)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-1-cyclohexanone IUPAC Name: 2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]cyclohexan-1-one Traditional Name: 2-[[5-[(1,3-benzothiazol-2-ylthio)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]cyclohexanone Formula: C22H20N4OS3 MolecularWeight: 452.6154

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)SC2=NN=C(N2C3=CC=CC=C3)CSC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CCC(=O)C(C1)SC2=NN=C(N2C3=CC=CC=C3)CSC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H20N4OS3/c27-17-11-5-7-13-19(17)29-21-25-24-20(26(21)15-8-2-1-3-9-15)14-28-22-23-16-10-4-6-12-18(16)30-22/h1-4,6,8-10,12,19H,5,7,11,13-14H2