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

Systemtic Name: propan-2-yl 2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C21H20N4O2S3 MolecularWeight: 456.6041

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O2S3/c1-14(2)27-19(26)13-28-20-24-23-18(25(20)15-8-4-3-5-9-15)12-29-21-22-16-10-6-7-11-17(16)30-21/h3-11,14H,12-13H2,1-2H3