1,3-benzothiazol-2-ylsulfanylmethyl thiocyanate; pentanedial

Systemtic Name: 1,3-benzothiazol-2-ylsulfanylmethyl thiocyanate; pentanedial Openeye Name: 1,3-benzothiazol-2-ylsulfanylmethyl thiocyanate; pentanedial CAS Name: pentanedial; thiocyanic acid (1,3-benzothiazol-2-ylthio)methyl ester IUPAC Name: 1,3-benzothiazol-2-ylsulfanylmethyl thiocyanate; pentanedial Traditional Name: glutaraldehyde; thiocyanic acid (1,3-benzothiazol-2-ylthio)methyl ester Formula: C14H14N2O2S3 MolecularWeight: 338.46816

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCSC#N.C(CC=O)CC=O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCSC#N.C(CC=O)CC=O

InChI

InChI=1S/C9H6N2S3.C5H8O2/c10-5-12-6-13-9-11-7-3-1-2-4-8(7)14-9;6-4-2-1-3-5-7/h1-4H,6H2;4-5H,1-3H2