5-chloranyl-1,3-benzothiazole-2-thiolate; 2-pyridin-1-ium-1-ylethanol

Systemtic Name: 5-chloranyl-1,3-benzothiazole-2-thiolate; 2-pyridin-1-ium-1-ylethanol Openeye Name: 5-chloro-1,3-benzothiazole-2-thiolate; 2-pyridin-1-ium-1-ylethanol CAS Name: 5-chloro-1,3-benzothiazole-2-thiolate; 2-(1-pyridin-1-iumyl)ethanol IUPAC Name: 5-chloro-1,3-benzothiazole-2-thiolate; 2-pyridin-1-ium-1-ylethanol Traditional Name: 5-chloro-1,3-benzothiazole-2-thiolate; 2-pyridin-1-ium-1-ylethanol Formula: C14H13ClN2OS2 MolecularWeight: 324.84882

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)CCO.C1=CC2=C(C=C1Cl)N=C(S2)[S-]

Isomeric SMILES

C1=CC=[N+](C=C1)CCO.C1=CC2=C(C=C1Cl)N=C(S2)[S-]

InChI

InChI=1S/C7H4ClNS2.C7H10NO/c8-4-1-2-6-5(3-4)9-7(10)11-6;9-7-6-8-4-2-1-3-5-8/h1-3H,(H,9,10);1-5,9H,6-7H2/q;+1/p-1