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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)thio]acetic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C20H18N4O2S2 MolecularWeight: 410.51252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC2=CC=CC=C2)SCC(=O)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=NN=C(N1CC2=CC=CC=C2)SCC(=O)OCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H18N4O2S2/c1-14-22-23-20(24(14)11-15-7-3-2-4-8-15)27-13-19(25)26-12-18-21-16-9-5-6-10-17(16)28-18/h2-10H,11-13H2,1H3