ethyl 1-[(2-aminophenyl)methyl]-5-sulfanylidene-2H-1,2,3-triazole-4-carboxylate

Systemtic Name: ethyl 1-[(2-aminophenyl)methyl]-5-sulfanylidene-2H-1,2,3-triazole-4-carboxylate Openeye Name: ethyl 1-[(2-aminophenyl)methyl]-5-thioxo-2H-triazole-4-carboxylate CAS Name: 1-[(2-aminophenyl)methyl]-5-sulfanylidene-2H-triazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2-aminophenyl)methyl]-5-sulfanylidene-2H-triazole-4-carboxylate Traditional Name: 1-(2-aminobenzyl)-5-thioxo-2H-triazole-4-carboxylic acid ethyl ester Formula: C12H14N4O2S MolecularWeight: 278.33016

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NNN(C1=S)CC2=CC=CC=C2N

Isomeric SMILES

CCOC(=O)C1=NNN(C1=S)CC2=CC=CC=C2N

InChI

InChI=1S/C12H14N4O2S/c1-2-18-12(17)10-11(19)16(15-14-10)7-8-5-3-4-6-9(8)13/h3-6,15H,2,7,13H2,1H3