2-[5-[(6-nitro-1,3-benzothiazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]ethanenitrile

Systemtic Name: 2-[5-[(6-nitro-1,3-benzothiazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]ethanenitrile Openeye Name: 2-[5-[(6-nitro-1,3-benzothiazol-2-yl)sulfanylmethyl]thiazol-2-yl]acetonitrile CAS Name: 2-[5-[[(6-nitro-1,3-benzothiazol-2-yl)thio]methyl]-2-thiazolyl]acetonitrile IUPAC Name: 2-[5-[(6-nitro-1,3-benzothiazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetonitrile Traditional Name: 2-[5-[[(6-nitro-1,3-benzothiazol-2-yl)thio]methyl]thiazol-2-yl]acetonitrile Formula: C13H8N4O2S3 MolecularWeight: 348.42322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])SC(=N2)SCC3=CN=C(S3)CC#N

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])SC(=N2)SCC3=CN=C(S3)CC#N

InChI

InChI=1S/C13H8N4O2S3/c14-4-3-12-15-6-9(21-12)7-20-13-16-10-2-1-8(17(18)19)5-11(10)22-13/h1-2,5-6H,3,7H2