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

Systemtic Name: ethyl 2-[5-(1,3-benzothiazol-2-ylmethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]ethanoate Openeye Name: ethyl 2-[5-(1,3-benzothiazol-2-ylmethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]acetate CAS Name: 2-[5-(1,3-benzothiazol-2-ylmethylthio)-4-methyl-1,2,4-triazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-(1,3-benzothiazol-2-ylmethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]acetate Traditional Name: 2-[5-(1,3-benzothiazol-2-ylmethylthio)-4-methyl-1,2,4-triazol-3-yl]acetic acid ethyl ester Formula: C15H16N4O2S2 MolecularWeight: 348.44314

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=NN=C(N1C)SCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCOC(=O)CC1=NN=C(N1C)SCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C15H16N4O2S2/c1-3-21-14(20)8-12-17-18-15(19(12)2)22-9-13-16-10-6-4-5-7-11(10)23-13/h4-7H,3,8-9H2,1-2H3