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

Systemtic Name: ethyl 4-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanoate Openeye Name: ethyl 4-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanoate CAS Name: 4-[[5-[(1,3-benzothiazol-2-ylthio)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanoate Traditional Name: 4-[[5-[(1,3-benzothiazol-2-ylthio)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]butyric acid ethyl ester Formula: C22H22N4O2S3 MolecularWeight: 470.63068

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCSC1=NN=C(N1C2=CC=CC=C2)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCOC(=O)CCCSC1=NN=C(N1C2=CC=CC=C2)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H22N4O2S3/c1-2-28-20(27)13-8-14-29-21-25-24-19(26(21)16-9-4-3-5-10-16)15-30-22-23-17-11-6-7-12-18(17)31-22/h3-7,9-12H,2,8,13-15H2,1H3