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

Systemtic Name: 2-[(5-butylsulfanylpyrazin-2-yl)carbonylamino]-5-cyano-benzoic acid Openeye Name: 2-[(5-butylsulfanylpyrazine-2-carbonyl)amino]-5-cyano-benzoic acid CAS Name: 2-[[[5-(butylthio)-2-pyrazinyl]-oxomethyl]amino]-5-cyanobenzoic acid IUPAC Name: 2-[(5-butylsulfanylpyrazine-2-carbonyl)amino]-5-cyanobenzoic acid Traditional Name: 2-[[5-(butylthio)pyrazinoyl]amino]-5-cyano-benzoic acid Formula: C17H16N4O3S MolecularWeight: 356.39894

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC=C(N=C1)C(=O)NC2=C(C=C(C=C2)C#N)C(=O)O

Isomeric SMILES

CCCCSC1=NC=C(N=C1)C(=O)NC2=C(C=C(C=C2)C#N)C(=O)O

InChI

InChI=1S/C17H16N4O3S/c1-2-3-6-25-15-10-19-14(9-20-15)16(22)21-13-5-4-11(8-18)7-12(13)17(23)24/h4-5,7,9-10H,2-3,6H2,1H3,(H,21,22)(H,23,24)