3-but-3-ynyl-2H-1,3-benzothiazole thiocyanate

Systemtic Name: 3-but-3-ynyl-2H-1,3-benzothiazole thiocyanate Openeye Name: 3-but-3-ynyl-2H-1,3-benzothiazole thiocyanate CAS Name: 3-but-3-ynyl-2H-1,3-benzothiazole thiocyanate IUPAC Name: 3-but-3-ynyl-2H-1,3-benzothiazole thiocyanate Traditional Name: 3-but-3-ynyl-2H-1,3-benzothiazole thiocyanate Formula: C12H11N2S2- MolecularWeight: 247.35914

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Descriptors Computed from Structure

Canonical SMILES:

C#CCCN1CSC2=CC=CC=C21.C(#N)[S-]

Isomeric SMILES

C#CCCN1CSC2=CC=CC=C21.C(#N)[S-]

InChI

InChI=1S/C11H11NS.CHNS/c1-2-3-8-12-9-13-11-7-5-4-6-10(11)12;2-1-3/h1,4-7H,3,8-9H2;3H/p-1