4-[2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]morpholin-4-ium

Systemtic Name: 4-[2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]morpholin-4-ium Openeye Name: 4-[2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]morpholin-4-ium CAS Name: 4-[2-[[4-methyl-5-(2-pyrazinyl)-1,2,4-triazol-3-yl]thio]ethyl]morpholin-4-ium IUPAC Name: 4-[2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]morpholin-4-ium Traditional Name: 4-[2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)thio]ethyl]morpholin-4-ium Formula: C13H19N6OS+ MolecularWeight: 307.39456

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC[NH+]2CCOCC2)C3=NC=CN=C3

Isomeric SMILES

CN1C(=NN=C1SCC[NH+]2CCOCC2)C3=NC=CN=C3

InChI

InChI=1S/C13H18N6OS/c1-18-12(11-10-14-2-3-15-11)16-17-13(18)21-9-6-19-4-7-20-8-5-19/h2-3,10H,4-9H2,1H3/p+1