ethyl 5-[[3-(2-azanyl-4-ethoxy-phenyl)-5-ethoxycarbonyl-1,2,3-triazol-4-yl]sulfanyl]-1,2,3-thiadiazole-4-carboxylate

Systemtic Name: ethyl 5-[[3-(2-azanyl-4-ethoxy-phenyl)-5-ethoxycarbonyl-1,2,3-triazol-4-yl]sulfanyl]-1,2,3-thiadiazole-4-carboxylate Openeye Name: ethyl 5-[3-(2-amino-4-ethoxy-phenyl)-5-ethoxycarbonyl-triazol-4-yl]sulfanylthiadiazole-4-carboxylate CAS Name: 5-[[3-(2-amino-4-ethoxyphenyl)-5-ethoxycarbonyl-4-triazolyl]thio]-4-thiadiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[3-(2-amino-4-ethoxyphenyl)-5-ethoxycarbonyltriazol-4-yl]sulfanylthiadiazole-4-carboxylate Traditional Name: 5-[[3-(2-amino-4-ethoxy-phenyl)-5-carbethoxy-triazol-4-yl]thio]thiadiazole-4-carboxylic acid ethyl ester Formula: C18H20N6O5S2 MolecularWeight: 464.5186

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)N2C(=C(N=N2)C(=O)OCC)SC3=C(N=NS3)C(=O)OCC)N

Isomeric SMILES

CCOC1=CC(=C(C=C1)N2C(=C(N=N2)C(=O)OCC)SC3=C(N=NS3)C(=O)OCC)N

InChI

InChI=1S/C18H20N6O5S2/c1-4-27-10-7-8-12(11(19)9-10)24-15(13(20-22-24)16(25)28-5-2)30-18-14(21-23-31-18)17(26)29-6-3/h7-9H,4-6,19H2,1-3H3