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

Systemtic Name: methyl 2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: methyl 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]acetic acid methyl ester IUPAC Name: methyl 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]acetic acid methyl ester Formula: C19H16N4O2S3 MolecularWeight: 428.55094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16N4O2S3/c1-25-17(24)12-26-18-22-21-16(23(18)13-7-3-2-4-8-13)11-27-19-20-14-9-5-6-10-15(14)28-19/h2-10H,11-12H2,1H3