5-chloranyl-3H-1,3-benzothiazole-2-thione; 1-dodecylpyridin-1-ium

Systemtic Name: 5-chloranyl-3H-1,3-benzothiazole-2-thione; 1-dodecylpyridin-1-ium Openeye Name: 5-chloro-3H-1,3-benzothiazole-2-thione; 1-dodecylpyridin-1-ium CAS Name: 5-chloro-3H-1,3-benzothiazole-2-thione; 1-dodecylpyridin-1-ium IUPAC Name: 5-chloro-3H-1,3-benzothiazole-2-thione; 1-dodecylpyridin-1-ium Traditional Name: 5-chloro-3H-1,3-benzothiazole-2-thione; 1-laurylpyridin-1-ium Formula: C24H34ClN2S2+ MolecularWeight: 450.12316

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+]1=CC=CC=C1.C1=CC2=C(C=C1Cl)NC(=S)S2

Isomeric SMILES

CCCCCCCCCCCC[N+]1=CC=CC=C1.C1=CC2=C(C=C1Cl)NC(=S)S2

InChI

InChI=1S/C17H30N.C7H4ClNS2/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18;8-4-1-2-6-5(3-4)9-7(10)11-6/h11,13-14,16-17H,2-10,12,15H2,1H3;1-3H,(H,9,10)/q+1;