N-[3-[(2,4-dimethylphenoxy)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]pyrazine-2-carboxamide

Systemtic Name: N-[3-[(2,4-dimethylphenoxy)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]pyrazine-2-carboxamide Openeye Name: N-[3-[(2,4-dimethylphenoxy)methyl]-5-thioxo-1H-1,2,4-triazol-4-yl]pyrazine-2-carboxamide CAS Name: N-[3-[(2,4-dimethylphenoxy)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-2-pyrazinecarboxamide IUPAC Name: N-[3-[(2,4-dimethylphenoxy)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]pyrazine-2-carboxamide Traditional Name: N-[3-[(2,4-dimethylphenoxy)methyl]-5-thioxo-1H-1,2,4-triazol-4-yl]pyrazinamide Formula: C16H16N6O2S MolecularWeight: 356.40224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC2=NNC(=S)N2NC(=O)C3=NC=CN=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)OCC2=NNC(=S)N2NC(=O)C3=NC=CN=C3)C

InChI

InChI=1S/C16H16N6O2S/c1-10-3-4-13(11(2)7-10)24-9-14-19-20-16(25)22(14)21-15(23)12-8-17-5-6-18-12/h3-8H,9H2,1-2H3,(H,20,25)(H,21,23)