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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C)C(=O)NC2CCCCC2)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCN1C(=NN=C1SC(C)C(=O)NC2CCCCC2)CSC3=NC4=CC=CC=C4S3

InChI

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