2-chloranyl-N-(3-pyrazin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzamide

Systemtic Name: 2-chloranyl-N-(3-pyrazin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzamide Openeye Name: 2-chloro-N-(3-pyrazin-2-yl-5-thioxo-1H-1,2,4-triazol-4-yl)benzamide CAS Name: 2-chloro-N-[3-(2-pyrazinyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzamide IUPAC Name: 2-chloro-N-(3-pyrazin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzamide Traditional Name: 2-chloro-N-(3-pyrazin-2-yl-5-thioxo-1H-1,2,4-triazol-4-yl)benzamide Formula: C13H9ClN6OS MolecularWeight: 332.76816

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NN2C(=NNC2=S)C3=NC=CN=C3)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NN2C(=NNC2=S)C3=NC=CN=C3)Cl

InChI

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