methyl 3-(phenylcarbamothioylamino)pyrazine-2-carboxylate

Systemtic Name: methyl 3-(phenylcarbamothioylamino)pyrazine-2-carboxylate Openeye Name: methyl 3-(phenylcarbamothioylamino)pyrazine-2-carboxylate CAS Name: 3-[[anilino(sulfanylidene)methyl]amino]-2-pyrazinecarboxylic acid methyl ester IUPAC Name: methyl 3-(phenylcarbamothioylamino)pyrazine-2-carboxylate Traditional Name: 3-(phenylthiocarbamoylamino)pyrazinic acid methyl ester Formula: C13H12N4O2S MolecularWeight: 288.32498

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NC=CN=C1NC(=S)NC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=NC=CN=C1NC(=S)NC2=CC=CC=C2

InChI

InChI=1S/C13H12N4O2S/c1-19-12(18)10-11(15-8-7-14-10)17-13(20)16-9-5-3-2-4-6-9/h2-8H,1H3,(H2,15,16,17,20)