ethyl 1-[2-azanyl-5-(phenylcarbonyl)phenyl]-5-sulfanylidene-2H-1,2,3-triazole-4-carboxylate

Systemtic Name: ethyl 1-[2-azanyl-5-(phenylcarbonyl)phenyl]-5-sulfanylidene-2H-1,2,3-triazole-4-carboxylate Openeye Name: ethyl 1-(2-amino-5-benzoyl-phenyl)-5-thioxo-2H-triazole-4-carboxylate CAS Name: 1-(2-amino-5-benzoylphenyl)-5-sulfanylidene-2H-triazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-amino-5-benzoylphenyl)-5-sulfanylidene-2H-triazole-4-carboxylate Traditional Name: 1-(2-amino-5-benzoyl-phenyl)-5-thioxo-2H-triazole-4-carboxylic acid ethyl ester Formula: C18H16N4O3S MolecularWeight: 368.40964

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NNN(C1=S)C2=C(C=CC(=C2)C(=O)C3=CC=CC=C3)N

Isomeric SMILES

CCOC(=O)C1=NNN(C1=S)C2=C(C=CC(=C2)C(=O)C3=CC=CC=C3)N

InChI

InChI=1S/C18H16N4O3S/c1-2-25-18(24)15-17(26)22(21-20-15)14-10-12(8-9-13(14)19)16(23)11-6-4-3-5-7-11/h3-10,21H,2,19H2,1H3