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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(4-ethyl-5-phenyl-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:

CCN1C(=NN=C1SCC(=O)OCC2=NC3=CC=CC=C3S2)C4=CC=CC=C4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)OCC2=NC3=CC=CC=C3S2)C4=CC=CC=C4

InChI

InChI=1S/C20H18N4O2S2/c1-2-24-19(14-8-4-3-5-9-14)22-23-20(24)27-13-18(25)26-12-17-21-15-10-6-7-11-16(15)28-17/h3-11H,2,12-13H2,1H3