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

Systemtic Name: 2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-butyl-ethanamide Openeye Name: 2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-butyl-acetamide CAS Name: 2-[[5-[(1,3-benzothiazol-2-ylthio)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]-N-butylacetamide IUPAC Name: 2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-butylacetamide Traditional Name: 2-[[5-[(1,3-benzothiazol-2-ylthio)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]-N-butyl-acetamide Formula: C18H23N5OS3 MolecularWeight: 421.60312

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CSC1=NN=C(N1CC)CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCCCNC(=O)CSC1=NN=C(N1CC)CSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H23N5OS3/c1-3-5-10-19-16(24)12-25-17-22-21-15(23(17)4-2)11-26-18-20-13-8-6-7-9-14(13)27-18/h6-9H,3-5,10-12H2,1-2H3,(H,19,24)