ethyl 4-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazole-2-carboxylate

Systemtic Name: ethyl 4-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazole-2-carboxylate Openeye Name: ethyl 4-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]thiazole-2-carboxylate CAS Name: 4-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-2-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazole-2-carboxylate Traditional Name: 4-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]thiazole-2-carboxylic acid ethyl ester Formula: C9H11N5O2S2 MolecularWeight: 285.34594

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC(=CS1)CSC2=NNC(=N2)N

Isomeric SMILES

CCOC(=O)C1=NC(=CS1)CSC2=NNC(=N2)N

InChI

InChI=1S/C9H11N5O2S2/c1-2-16-7(15)6-11-5(3-17-6)4-18-9-12-8(10)13-14-9/h3H,2,4H2,1H3,(H3,10,12,13,14)