2-[4-[(5-nitro-1,3-benzoxazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]ethanenitrile

Systemtic Name: 2-[4-[(5-nitro-1,3-benzoxazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]ethanenitrile Openeye Name: 2-[4-[(5-nitro-1,3-benzoxazol-2-yl)sulfanylmethyl]thiazol-2-yl]acetonitrile CAS Name: 2-[4-[[(5-nitro-1,3-benzoxazol-2-yl)thio]methyl]-2-thiazolyl]acetonitrile IUPAC Name: 2-[4-[(5-nitro-1,3-benzoxazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetonitrile Traditional Name: 2-[4-[[(5-nitro-1,3-benzoxazol-2-yl)thio]methyl]thiazol-2-yl]acetonitrile Formula: C13H8N4O3S2 MolecularWeight: 332.35762

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])N=C(O2)SCC3=CSC(=N3)CC#N

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])N=C(O2)SCC3=CSC(=N3)CC#N

InChI

InChI=1S/C13H8N4O3S2/c14-4-3-12-15-8(6-21-12)7-22-13-16-10-5-9(17(18)19)1-2-11(10)20-13/h1-2,5-6H,3,7H2