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

Systemtic Name: 2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-ethanamide Openeye Name: 2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-acetamide CAS Name: 2-[[5-[(1,3-benzothiazol-2-ylthio)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-N-propylacetamide IUPAC Name: 2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-propylacetamide Traditional Name: 2-[[5-[(1,3-benzothiazol-2-ylthio)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-N-propyl-acetamide Formula: C21H21N5OS3 MolecularWeight: 455.61934

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CSC1=NN=C(N1C2=CC=CC=C2)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCCNC(=O)CSC1=NN=C(N1C2=CC=CC=C2)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H21N5OS3/c1-2-12-22-19(27)14-28-20-25-24-18(26(20)15-8-4-3-5-9-15)13-29-21-23-16-10-6-7-11-17(16)30-21/h3-11H,2,12-14H2,1H3,(H,22,27)