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

Systemtic Name: 2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopentyl-propanamide Openeye Name: 2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopentyl-propanamide CAS Name: 2-[[5-[(1,3-benzothiazol-2-ylthio)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]-N-cyclopentylpropanamide IUPAC Name: 2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopentylpropanamide Traditional Name: 2-[[5-[(1,3-benzothiazol-2-ylthio)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]-N-cyclopentyl-propionamide Formula: C20H25N5OS3 MolecularWeight: 447.6404

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C)C(=O)NC2CCCC2)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCN1C(=NN=C1SC(C)C(=O)NC2CCCC2)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H25N5OS3/c1-3-25-17(12-27-20-22-15-10-6-7-11-16(15)29-20)23-24-19(25)28-13(2)18(26)21-14-8-4-5-9-14/h6-7,10-11,13-14H,3-5,8-9,12H2,1-2H3,(H,21,26)