methyl 5-(4-ethanoylphenyl)-2-methyl-6-thiophen-2-yl-1,6-dihydro-1,2,4,5-tetrazine-3-carboxylate

Systemtic Name: methyl 5-(4-ethanoylphenyl)-2-methyl-6-thiophen-2-yl-1,6-dihydro-1,2,4,5-tetrazine-3-carboxylate Openeye Name: methyl 5-(4-acetylphenyl)-2-methyl-6-(2-thienyl)-1,6-dihydro-1,2,4,5-tetrazine-3-carboxylate CAS Name: 5-(4-acetylphenyl)-2-methyl-6-thiophen-2-yl-1,6-dihydro-1,2,4,5-tetrazine-3-carboxylic acid methyl ester IUPAC Name: methyl 5-(4-acetylphenyl)-2-methyl-6-thiophen-2-yl-1,6-dihydro-1,2,4,5-tetrazine-3-carboxylate Traditional Name: 5-(4-acetylphenyl)-2-methyl-6-(2-thienyl)-1,6-dihydro-1,2,4,5-tetrazine-3-carboxylic acid methyl ester Formula: C17H18N4O3S MolecularWeight: 358.41482

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2C(NN(C(=N2)C(=O)OC)C)C3=CC=CS3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2C(NN(C(=N2)C(=O)OC)C)C3=CC=CS3

InChI

InChI=1S/C17H18N4O3S/c1-11(22)12-6-8-13(9-7-12)21-15(14-5-4-10-25-14)18-20(2)16(19-21)17(23)24-3/h4-10,15,18H,1-3H3