methyl 3-(4-azanyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)propanoate

Systemtic Name: methyl 3-(4-azanyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)propanoate Openeye Name: methyl 3-(4-amino-5-thioxo-1H-1,2,4-triazol-3-yl)propanoate CAS Name: 3-(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)propanoic acid methyl ester IUPAC Name: methyl 3-(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)propanoate Traditional Name: 3-(4-amino-5-thioxo-1H-1,2,4-triazol-3-yl)propionic acid methyl ester Formula: C6H10N4O2S MolecularWeight: 202.2342

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=NNC(=S)N1N

Isomeric SMILES

COC(=O)CCC1=NNC(=S)N1N

InChI

InChI=1S/C6H10N4O2S/c1-12-5(11)3-2-4-8-9-6(13)10(4)7/h2-3,7H2,1H3,(H,9,13)