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

Systemtic Name: 2-carboxy-N-pentyl-3-sulfanylidene-prop-2-enenitrilium Openeye Name: 2-carboxy-N-pentyl-3-thioxo-prop-2-enenitrilium CAS Name: 2-carboxy-N-pentyl-3-sulfanylidene-2-propenenitrilium IUPAC Name: 2-carboxy-N-pentyl-3-sulfanylideneprop-2-enenitrilium Traditional Name: N-amyl-2-carboxy-3-thioxo-acrylonitrilium Formula: C9H12NO2S+ MolecularWeight: 198.26208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H11NO2S/c1-2-3-4-5-10-6-8(7-13)9(11)12/h2-5H2,1H3/p+1