methyl N-(2-hepta-2,4,6-triynoxyethynyl)ethanimidothioate

Systemtic Name: methyl N-(2-hepta-2,4,6-triynoxyethynyl)ethanimidothioate Openeye Name: methyl N-(2-hepta-2,4,6-triynoxyethynyl)ethanimidothioate CAS Name: N-(2-hepta-2,4,6-triynoxyethynyl)ethanimidothioic acid methyl ester IUPAC Name: methyl N-(2-hepta-2,4,6-triynoxyethynyl)ethanimidothioate Traditional Name: N-(2-hepta-2,4,6-triynoxyethynyl)thioacetimidic acid methyl ester Formula: C12H9NOS MolecularWeight: 215.27096

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NC#COCC#CC#CC#C)SC

Isomeric SMILES

CC(=NC#COCC#CC#CC#C)SC

InChI

InChI=1S/C12H9NOS/c1-4-5-6-7-8-10-14-11-9-13-12(2)15-3/h1H,10H2,2-3H3