3-(azocan-1-ium-1-ylmethyl)-5-(prop-2-enylamino)-1,3,4-thiadiazole-2-thione

Systemtic Name: 3-(azocan-1-ium-1-ylmethyl)-5-(prop-2-enylamino)-1,3,4-thiadiazole-2-thione Openeye Name: 5-(allylamino)-3-(azocan-1-ium-1-ylmethyl)-1,3,4-thiadiazole-2-thione CAS Name: 3-(1-azocan-1-iumylmethyl)-5-(prop-2-enylamino)-1,3,4-thiadiazole-2-thione IUPAC Name: 3-(azocan-1-ium-1-ylmethyl)-5-(prop-2-enylamino)-1,3,4-thiadiazole-2-thione Traditional Name: 5-(allylamino)-3-(azocan-1-ium-1-ylmethyl)-1,3,4-thiadiazole-2-thione Formula: C13H23N4S2+ MolecularWeight: 299.47852

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NN(C(=S)S1)C[NH+]2CCCCCCC2

Isomeric SMILES

C=CCNC1=NN(C(=S)S1)C[NH+]2CCCCCCC2

InChI

InChI=1S/C13H22N4S2/c1-2-8-14-12-15-17(13(18)19-12)11-16-9-6-4-3-5-7-10-16/h2H,1,3-11H2,(H,14,15)/p+1