5-cyano-2-[(5-pentylsulfanylpyrazin-2-yl)carbonylamino]benzoic acid

Systemtic Name: 5-cyano-2-[(5-pentylsulfanylpyrazin-2-yl)carbonylamino]benzoic acid Openeye Name: 5-cyano-2-[(5-pentylsulfanylpyrazine-2-carbonyl)amino]benzoic acid CAS Name: 5-cyano-2-[[oxo-[5-(pentylthio)-2-pyrazinyl]methyl]amino]benzoic acid IUPAC Name: 5-cyano-2-[(5-pentylsulfanylpyrazine-2-carbonyl)amino]benzoic acid Traditional Name: 2-[[5-(amylthio)pyrazinoyl]amino]-5-cyano-benzoic acid Formula: C18H18N4O3S MolecularWeight: 370.42552

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC=C(N=C1)C(=O)NC2=C(C=C(C=C2)C#N)C(=O)O

Isomeric SMILES

CCCCCSC1=NC=C(N=C1)C(=O)NC2=C(C=C(C=C2)C#N)C(=O)O

InChI

InChI=1S/C18H18N4O3S/c1-2-3-4-7-26-16-11-20-15(10-21-16)17(23)22-14-6-5-12(9-19)8-13(14)18(24)25/h5-6,8,10-11H,2-4,7H2,1H3,(H,22,23)(H,24,25)