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

Systemtic Name: methyl 5-(4-cyanophenyl)-2-methyl-6-thiophen-2-yl-1,6-dihydro-1,2,4,5-tetrazine-3-carboxylate Openeye Name: methyl 5-(4-cyanophenyl)-2-methyl-6-(2-thienyl)-1,6-dihydro-1,2,4,5-tetrazine-3-carboxylate CAS Name: 5-(4-cyanophenyl)-2-methyl-6-thiophen-2-yl-1,6-dihydro-1,2,4,5-tetrazine-3-carboxylic acid methyl ester IUPAC Name: methyl 5-(4-cyanophenyl)-2-methyl-6-thiophen-2-yl-1,6-dihydro-1,2,4,5-tetrazine-3-carboxylate Traditional Name: 5-(4-cyanophenyl)-2-methyl-6-(2-thienyl)-1,6-dihydro-1,2,4,5-tetrazine-3-carboxylic acid methyl ester Formula: C16H15N5O2S MolecularWeight: 341.3876

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C(N1)C2=CC=CS2)C3=CC=C(C=C3)C#N)C(=O)OC

Isomeric SMILES

CN1C(=NN(C(N1)C2=CC=CS2)C3=CC=C(C=C3)C#N)C(=O)OC

InChI

InChI=1S/C16H15N5O2S/c1-20-15(16(22)23-2)19-21(12-7-5-11(10-17)6-8-12)14(18-20)13-4-3-9-24-13/h3-9,14,18H,1-2H3