ethyl 1-(2-methyl-1,3-benzothiazol-5-yl)-4,5-dihydro-1,2,3-triazole-4-carboxylate

Systemtic Name: ethyl 1-(2-methyl-1,3-benzothiazol-5-yl)-4,5-dihydro-1,2,3-triazole-4-carboxylate Openeye Name: ethyl 1-(2-methyl-1,3-benzothiazol-5-yl)-4,5-dihydrotriazole-4-carboxylate CAS Name: 1-(2-methyl-1,3-benzothiazol-5-yl)-4,5-dihydrotriazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-methyl-1,3-benzothiazol-5-yl)-4,5-dihydrotriazole-4-carboxylate Traditional Name: 1-(2-methyl-1,3-benzothiazol-5-yl)-4,5-dihydrotriazole-4-carboxylic acid ethyl ester Formula: C13H14N4O2S MolecularWeight: 290.34086

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CN(N=N1)C2=CC3=C(C=C2)SC(=N3)C

Isomeric SMILES

CCOC(=O)C1CN(N=N1)C2=CC3=C(C=C2)SC(=N3)C

InChI

InChI=1S/C13H14N4O2S/c1-3-19-13(18)11-7-17(16-15-11)9-4-5-12-10(6-9)14-8(2)20-12/h4-6,11H,3,7H2,1-2H3