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

Systemtic Name: methyl 2-methyl-5-(4-methylphenyl)-6-thiophen-2-yl-1,6-dihydro-1,2,4,5-tetrazine-3-carboxylate Openeye Name: methyl 2-methyl-5-(p-tolyl)-6-(2-thienyl)-1,6-dihydro-1,2,4,5-tetrazine-3-carboxylate CAS Name: 2-methyl-5-(4-methylphenyl)-6-thiophen-2-yl-1,6-dihydro-1,2,4,5-tetrazine-3-carboxylic acid methyl ester IUPAC Name: methyl 2-methyl-5-(4-methylphenyl)-6-thiophen-2-yl-1,6-dihydro-1,2,4,5-tetrazine-3-carboxylate Traditional Name: 2-methyl-5-(p-tolyl)-6-(2-thienyl)-1,6-dihydro-1,2,4,5-tetrazine-3-carboxylic acid methyl ester Formula: C16H18N4O2S MolecularWeight: 330.40472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(NN(C(=N2)C(=O)OC)C)C3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)N2C(NN(C(=N2)C(=O)OC)C)C3=CC=CS3

InChI

InChI=1S/C16H18N4O2S/c1-11-6-8-12(9-7-11)20-14(13-5-4-10-23-13)17-19(2)15(18-20)16(21)22-3/h4-10,14,17H,1-3H3