4-(3-isothiocyanatophenyl)-2,6-dimethyl-1H-pyrazine-3,5-dicarboxylic acid

Systemtic Name: 4-(3-isothiocyanatophenyl)-2,6-dimethyl-1H-pyrazine-3,5-dicarboxylic acid Openeye Name: 4-(3-isothiocyanatophenyl)-2,6-dimethyl-1H-pyrazine-3,5-dicarboxylic acid CAS Name: 4-(3-isothiocyanatophenyl)-2,6-dimethyl-1H-pyrazine-3,5-dicarboxylic acid IUPAC Name: 4-(3-isothiocyanatophenyl)-2,6-dimethyl-1H-pyrazine-3,5-dicarboxylic acid Traditional Name: 4-(3-isothiocyanatophenyl)-2,6-dimethyl-1H-pyrazine-3,5-dicarboxylic acid Formula: C15H13N3O4S MolecularWeight: 331.34642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C(N1)C)C(=O)O)C2=CC=CC(=C2)N=C=S)C(=O)O

Isomeric SMILES

CC1=C(N(C(=C(N1)C)C(=O)O)C2=CC=CC(=C2)N=C=S)C(=O)O

InChI

InChI=1S/C15H13N3O4S/c1-8-12(14(19)20)18(13(15(21)22)9(2)17-8)11-5-3-4-10(6-11)16-7-23/h3-6,17H,1-2H3,(H,19,20)(H,21,22)