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

Systemtic Name: N-[3-(2-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]pyrazine-2-carboxamide Openeye Name: N-[3-(2-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]pyrazine-2-carboxamide CAS Name: N-[3-(2-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-2-pyrazinecarboxamide IUPAC Name: N-[3-(2-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]pyrazine-2-carboxamide Traditional Name: N-[3-(2-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]pyrazinamide Formula: C13H9ClN6OS MolecularWeight: 332.76816

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NNC(=S)N2NC(=O)C3=NC=CN=C3)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C2=NNC(=S)N2NC(=O)C3=NC=CN=C3)Cl

InChI

InChI=1S/C13H9ClN6OS/c14-9-4-2-1-3-8(9)11-17-18-13(22)20(11)19-12(21)10-7-15-5-6-16-10/h1-7H,(H,18,22)(H,19,21)