2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-N-ethyl-ethanamide

Systemtic Name: 2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-N-ethyl-ethanamide Openeye Name: 2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-N-ethyl-acetamide CAS Name: 2-[[5-[(1,3-benzothiazol-2-ylthio)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]-N-cyclohexyl-N-ethylacetamide IUPAC Name: 2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-N-ethylacetamide Traditional Name: 2-[[5-[(1,3-benzothiazol-2-ylthio)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]-N-cyclohexyl-N-ethyl-acetamide Formula: C21H27N5OS3 MolecularWeight: 461.66698

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CCCCC1)C(=O)CSC2=NN=C(N2C)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCN(C1CCCCC1)C(=O)CSC2=NN=C(N2C)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H27N5OS3/c1-3-26(15-9-5-4-6-10-15)19(27)14-28-20-24-23-18(25(20)2)13-29-21-22-16-11-7-8-12-17(16)30-21/h7-8,11-12,15H,3-6,9-10,13-14H2,1-2H3