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

Systemtic Name: cyanomethyl 2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: cyanomethyl 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 cyanomethyl ester IUPAC Name: cyanomethyl 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 cyanomethyl ester Formula: C20H15N5O2S3 MolecularWeight: 453.5604

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)OCC#N)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)OCC#N)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H15N5O2S3/c21-10-11-27-18(26)13-28-19-24-23-17(25(19)14-6-2-1-3-7-14)12-29-20-22-15-8-4-5-9-16(15)30-20/h1-9H,11-13H2