N-butyl-2-carboxy-3-sulfanylidene-prop-2-enenitrilium

Systemtic Name: N-butyl-2-carboxy-3-sulfanylidene-prop-2-enenitrilium Openeye Name: N-butyl-2-carboxy-3-thioxo-prop-2-enenitrilium CAS Name: N-butyl-2-carboxy-3-sulfanylidene-2-propenenitrilium IUPAC Name: N-butyl-2-carboxy-3-sulfanylideneprop-2-enenitrilium Traditional Name: N-butyl-2-carboxy-3-thioxo-acrylonitrilium Formula: C8H10NO2S+ MolecularWeight: 184.2355

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]#CC(=C=S)C(=O)O

Isomeric SMILES

CCCC[N+]#CC(=C=S)C(=O)O

InChI

InChI=1S/C8H9NO2S/c1-2-3-4-9-5-7(6-12)8(10)11/h2-4H2,1H3/p+1