3-[(3-methylsulfanylphenyl)carbamoyl]pyrazine-2-carboxylic acid

Systemtic Name: 3-[(3-methylsulfanylphenyl)carbamoyl]pyrazine-2-carboxylic acid Openeye Name: 3-[(3-methylsulfanylphenyl)carbamoyl]pyrazine-2-carboxylic acid CAS Name: 3-[[3-(methylthio)anilino]-oxomethyl]-2-pyrazinecarboxylic acid IUPAC Name: 3-[(3-methylsulfanylphenyl)carbamoyl]pyrazine-2-carboxylic acid Traditional Name: 3-[[3-(methylthio)phenyl]carbamoyl]pyrazinoic acid Formula: C13H11N3O3S MolecularWeight: 289.30974

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)C2=NC=CN=C2C(=O)O

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)C2=NC=CN=C2C(=O)O

InChI

InChI=1S/C13H11N3O3S/c1-20-9-4-2-3-8(7-9)16-12(17)10-11(13(18)19)15-6-5-14-10/h2-7H,1H3,(H,16,17)(H,18,19)