6-nitro-2-[2-(2-prop-2-enylphenoxy)ethylsulfanyl]-1,3-benzothiazole

Systemtic Name: 6-nitro-2-[2-(2-prop-2-enylphenoxy)ethylsulfanyl]-1,3-benzothiazole Openeye Name: 2-[2-(2-allylphenoxy)ethylsulfanyl]-6-nitro-1,3-benzothiazole CAS Name: 6-nitro-2-[2-(2-prop-2-enylphenoxy)ethylthio]-1,3-benzothiazole IUPAC Name: 6-nitro-2-[2-(2-prop-2-enylphenoxy)ethylsulfanyl]-1,3-benzothiazole Traditional Name: 2-[2-(2-allylphenoxy)ethylthio]-6-nitro-1,3-benzothiazole Formula: C18H16N2O3S2 MolecularWeight: 372.46124

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=CC=CC=C1OCCSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C=CCC1=CC=CC=C1OCCSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H16N2O3S2/c1-2-5-13-6-3-4-7-16(13)23-10-11-24-18-19-15-9-8-14(20(21)22)12-17(15)25-18/h2-4,6-9,12H,1,5,10-11H2