2-[2-(1,3-benzothiazol-2-yldisulfanyl)ethyldisulfanyl]-1,3-benzothiazole; propanoic acid

Systemtic Name: 2-[2-(1,3-benzothiazol-2-yldisulfanyl)ethyldisulfanyl]-1,3-benzothiazole; propanoic acid Openeye Name: 2-[2-(1,3-benzothiazol-2-yldisulfanyl)ethyldisulfanyl]-1,3-benzothiazole; propionic acid CAS Name: 2-[2-(1,3-benzothiazol-2-yldisulfanyl)ethyldisulfanyl]-1,3-benzothiazole; propanoic acid IUPAC Name: 2-[2-(1,3-benzothiazol-2-yldisulfanyl)ethyldisulfanyl]-1,3-benzothiazole; propanoic acid Traditional Name: 2-[2-(1,3-benzothiazol-2-yldisulfanyl)ethyldisulfanyl]-1,3-benzothiazole; propionic acid Formula: C19H18N2O2S6 MolecularWeight: 498.74842

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)O.C1=CC=C2C(=C1)N=C(S2)SSCCSSC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCC(=O)O.C1=CC=C2C(=C1)N=C(S2)SSCCSSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C16H12N2S6.C3H6O2/c1-3-7-13-11(5-1)17-15(21-13)23-19-9-10-20-24-16-18-12-6-2-4-8-14(12)22-16;1-2-3(4)5/h1-8H,9-10H2;2H2,1H3,(H,4,5)