iodanylmethane; 3-(1-methylpyridin-1-ium-3-yl)-4-pentylsulfanyl-1,2,5-thiadiazole; iodide

Systemtic Name: iodanylmethane; 3-(1-methylpyridin-1-ium-3-yl)-4-pentylsulfanyl-1,2,5-thiadiazole; iodide Openeye Name: iodomethane; 3-(1-methylpyridin-1-ium-3-yl)-4-pentylsulfanyl-1,2,5-thiadiazole; iodide CAS Name: iodomethane; 3-(1-methyl-3-pyridin-1-iumyl)-4-(pentylthio)-1,2,5-thiadiazole; iodide IUPAC Name: iodomethane; 3-(1-methylpyridin-1-ium-3-yl)-4-pentylsulfanyl-1,2,5-thiadiazole; iodide Traditional Name: 3-(amylthio)-4-(1-methylpyridin-1-ium-3-yl)-1,2,5-thiadiazole; iodomethane; iodide Formula: C14H21I2N3S2 MolecularWeight: 549.27558

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NSN=C1C2=C[N+](=CC=C2)C.CI.[I-]

Isomeric SMILES

CCCCCSC1=NSN=C1C2=C[N+](=CC=C2)C.CI.[I-]

InChI

InChI=1S/C13H18N3S2.CH3I.HI/c1-3-4-5-9-17-13-12(14-18-15-13)11-7-6-8-16(2)10-11;1-2;/h6-8,10H,3-5,9H2,1-2H3;1H3;1H/q+1;;/p-1