ethyl 2-[5-(1,3-benzothiazol-2-ylmethylsulfanyl)-4-cyclohexyl-1,2,4-triazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[5-(1,3-benzothiazol-2-ylmethylsulfanyl)-4-cyclohexyl-1,2,4-triazol-3-yl]ethanoate Openeye Name: ethyl 2-[5-(1,3-benzothiazol-2-ylmethylsulfanyl)-4-cyclohexyl-1,2,4-triazol-3-yl]acetate CAS Name: 2-[5-(1,3-benzothiazol-2-ylmethylthio)-4-cyclohexyl-1,2,4-triazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-(1,3-benzothiazol-2-ylmethylsulfanyl)-4-cyclohexyl-1,2,4-triazol-3-yl]acetate Traditional Name: 2-[5-(1,3-benzothiazol-2-ylmethylthio)-4-cyclohexyl-1,2,4-triazol-3-yl]acetic acid ethyl ester Formula: C20H24N4O2S2 MolecularWeight: 416.56016

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=NN=C(N1C2CCCCC2)SCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCOC(=O)CC1=NN=C(N1C2CCCCC2)SCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H24N4O2S2/c1-2-26-19(25)12-17-22-23-20(24(17)14-8-4-3-5-9-14)27-13-18-21-15-10-6-7-11-16(15)28-18/h6-7,10-11,14H,2-5,8-9,12-13H2,1H3