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

Systemtic Name: 2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropyl-ethanamide Openeye Name: 2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropyl-acetamide CAS Name: 2-[[5-[(1,3-benzothiazol-2-ylthio)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-N-cyclopropylacetamide IUPAC Name: 2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropylacetamide Traditional Name: 2-[[5-[(1,3-benzothiazol-2-ylthio)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-N-cyclopropyl-acetamide Formula: C21H19N5OS3 MolecularWeight: 453.60346

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CSC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CC1NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CSC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C21H19N5OS3/c27-19(22-14-10-11-14)13-28-20-25-24-18(26(20)15-6-2-1-3-7-15)12-29-21-23-16-8-4-5-9-17(16)30-21/h1-9,14H,10-13H2,(H,22,27)