butyl 1-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4,5-dihydro-1,2,3-triazole-4-carboxylate

Systemtic Name: butyl 1-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4,5-dihydro-1,2,3-triazole-4-carboxylate Openeye Name: butyl 1-[4-(2-methylthiazol-4-yl)phenyl]-4,5-dihydrotriazole-4-carboxylate CAS Name: 1-[4-(2-methyl-4-thiazolyl)phenyl]-4,5-dihydrotriazole-4-carboxylic acid butyl ester IUPAC Name: butyl 1-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4,5-dihydrotriazole-4-carboxylate Traditional Name: 1-[4-(2-methylthiazol-4-yl)phenyl]-4,5-dihydrotriazole-4-carboxylic acid butyl ester Formula: C17H20N4O2S MolecularWeight: 344.4313

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1CN(N=N1)C2=CC=C(C=C2)C3=CSC(=N3)C

Isomeric SMILES

CCCCOC(=O)C1CN(N=N1)C2=CC=C(C=C2)C3=CSC(=N3)C

InChI

InChI=1S/C17H20N4O2S/c1-3-4-9-23-17(22)15-10-21(20-19-15)14-7-5-13(6-8-14)16-11-24-12(2)18-16/h5-8,11,15H,3-4,9-10H2,1-2H3