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

Systemtic Name: 2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-[(1,3-benzothiazol-2-ylthio)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-[(1,3-benzothiazol-2-ylthio)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]acetate Formula: C18H13N4O2S3- MolecularWeight: 413.51642

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)[O-])CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)[O-])CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H14N4O2S3/c23-16(24)11-25-17-21-20-15(22(17)12-6-2-1-3-7-12)10-26-18-19-13-8-4-5-9-14(13)27-18/h1-9H,10-11H2,(H,23,24)/p-1