3-azanyl-6-chloranyl-5-(phenylmethylsulfanyl)pyrazine-2-carboxylic acid

Systemtic Name: 3-azanyl-6-chloranyl-5-(phenylmethylsulfanyl)pyrazine-2-carboxylic acid Openeye Name: 3-amino-5-benzylsulfanyl-6-chloro-pyrazine-2-carboxylic acid CAS Name: 3-amino-6-chloro-5-(phenylmethylthio)-2-pyrazinecarboxylic acid IUPAC Name: 3-amino-5-benzylsulfanyl-6-chloropyrazine-2-carboxylic acid Traditional Name: 3-amino-5-(benzylthio)-6-chloro-pyrazinoic acid Formula: C12H10ClN3O2S MolecularWeight: 295.7447

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC(=C(N=C2Cl)C(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC(=C(N=C2Cl)C(=O)O)N

InChI

InChI=1S/C12H10ClN3O2S/c13-9-11(16-10(14)8(15-9)12(17)18)19-6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,14,16)(H,17,18)