ethyl 2-[5-(5-sulfanylidene-1,2,4-triazol-3-yl)-1H-pyrrol-3-yl]ethanoate

Systemtic Name: ethyl 2-[5-(5-sulfanylidene-1,2,4-triazol-3-yl)-1H-pyrrol-3-yl]ethanoate Openeye Name: ethyl 2-[5-(5-thioxo-1,2,4-triazol-3-yl)-1H-pyrrol-3-yl]acetate CAS Name: 2-[5-(5-sulfanylidene-1,2,4-triazol-3-yl)-1H-pyrrol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-(5-sulfanylidene-1,2,4-triazol-3-yl)-1H-pyrrol-3-yl]acetate Traditional Name: 2-[5-(5-thioxo-1,2,4-triazol-3-yl)-1H-pyrrol-3-yl]acetic acid ethyl ester Formula: C10H10N4O2S MolecularWeight: 250.277

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CNC(=C1)C2=NC(=S)N=N2

Isomeric SMILES

CCOC(=O)CC1=CNC(=C1)C2=NC(=S)N=N2

InChI

InChI=1S/C10H10N4O2S/c1-2-16-8(15)4-6-3-7(11-5-6)9-12-10(17)14-13-9/h3,5,11H,2,4H2,1H3